Known targets — ChEMBL curated mechanism
ABL1ACEACHEACVR1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3AGTR1ALKAVPR1AAVPR2BCHEBCRCA2CACNA1ACACNA1BCACNA1CCACNA1DCACNA1ECACNA1FCACNA1GCACNA1HCACNA1ICACNA1SCACNA2D1CACNA2D2CACNA2D3CACNA2D4CACNB1CACNB2CACNB3CACNB4CACNG1CACNG2CACNG3CACNG4CACNG5CACNG6CACNG7CACNG8CALCRLCASRCCR5CDK4CDK6CFBCHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNA3CHRNA7CHRNB1CHRNB4CHRNDCHRNECHRNGCOXFA4COXFA4L2CRBNCSF1RCUL4ACYP19A1DDB1DPP4DRD1DRD2DRD3DRD4EDNRAEGFREML4ERBB2ERBB4ESR1ESR2FGFR1FGFR3FLT1FLT3FLT4GAAGABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGHSRGLAGNRHRGPD2GRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BGSTP1HCN4HCRTR1HCRTR2HDAC1HDAC10HDAC11HDAC2HDAC3HDAC4HDAC5HDAC6HDAC7HDAC8HDAC9HRH1HRH2HRH3HSD11B1HSP90AA1HSP90AB1HTR1AHTR1BHTR1DHTR1EHTR1FHTR2AHTR2BHTR2CHTR3AHTR3BHTR3CHTR3DHTR3EHTR4HTR5AHTR6HTR7IMPDH1IMPDH2ITGA2BITGB3ITKJAK1JAK2KCNA1KCNA10KCNA2KCNA3KCNA4KCNA5KCNA6KCNA7KCNB1KCNB2KCNC1KCNC2KCNC3KCNC4KCND1KCND2KCND3KCNF1KCNG1KCNG2KCNG3KCNG4KCNH1KCNH2KCNH3KCNH4KCNH5KCNH6KCNH7KCNH8KCNJ2KCNJ3KCNJ5KCNK3KCNK9KCNQ1KCNQ2KCNQ3KCNQ4KCNQ5KCNS1KCNS2KCNS3KCNV1KCNV2KDRKITKLKB1LCKMMAOAMAOBMAPK14METMMP1MMP13MMP7MMP8MT-ND1MT-ND2MT-ND3MT-ND4MT-ND4LMT-ND5MT-ND6NDUFA1NDUFA10NDUFA11NDUFA12NDUFA13NDUFA2NDUFA3NDUFA5NDUFA6NDUFA7NDUFA8NDUFA9NDUFAB1NDUFAF1NDUFAF2NDUFAF3NDUFAF4NDUFB1NDUFB10NDUFB11NDUFB2NDUFB3NDUFB4NDUFB5NDUFB6NDUFB7NDUFB8NDUFB9NDUFC1NDUFC2NDUFS1NDUFS2NDUFS3NDUFS4NDUFS5NDUFS6NDUFS7NDUFS8NDUFV1NDUFV2NDUFV3NR3C1NS5ANTRK1NTRK2NTRK3ODC1OPRD1OPRK1OPRM1P2RY12PAHPARP1PDE3APDE3BPDE4APDE4BPDE4CPDE4DPDE5APDE7APDE7BPDE8APDE8BPDGFRAPDGFRBPIK3CAPIK3CDPNPPOLA1POLA2POLD1POLD2POLD3POLD4POLEPOLE2POLE3PPARGPRIM1PRIM2PRKCAPRKCBPRKCDPRKCEPRKCGPRKCHPRKCIPRKCQPRKCZPRKD1PRKD3PTGS1PTGS2RBX1RENRETROCK1ROCK2RPE65RRM1RRM2RRM2BS1PR1S1PR2S1PR3S1PR4S1PR5SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASCNN1ASCNN1BSCNN1GSIGMAR1SLC18A2SLC6A1SLC6A2SLC6A3SLC6A4SLC9A3SRCTACR1TOP1TOP2ATOP2BTTRTYMPdacAdacBdacCembAfolAftsIgyrAgyrBmrcAmrcBmrdAparCparEpolrplArplBrplCrplDrplErplFrplIrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmE2rpmFrpmGrpmG1rpmG2rpmG3rpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Hydrochloric Acid. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MMP1 known ✓ | P03956 | 1/20 | 0.30 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.30 |
| ▸ | GRM2 | Q14416 | 2/20 | 0.30 |
| ▸ | GRM3 | Q14832 | 2/20 | 0.30 |
| ▸ | GRM4 | Q14833 | 2/20 | 0.30 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.30 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.30 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.30 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.30 |
| ▸ | GRM8 | O00222 | 1/20 | 0.30 |
| ▸ | GRM6 | O15303 | 1/20 | 0.30 |
| ▸ | LMNA | P02545 | 1/20 | 0.30 |
| ▸ | GRM5 | P41594 | 1/20 | 0.30 |
| ▸ | MTOR | P42345 | 1/20 | 0.30 |
| ▸ | GRM1 | Q13255 | 1/20 | 0.30 |
| ▸ | PLCB1 | Q9NQ66 | 1/20 | 0.30 |
| ▸ | TSHR | P16473 | 1/20 | 0.30 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL1812447 | 1.00 | NPSR1 (0.31) | NPSR1MAPTGRM2GRM3GRM4 | |
| Hydrochloric Acid SCHEMBL1812449 | 1.00 | NPSR1 (0.31) | NPSR1MAPTGRM2GRM3GRM4 | |
| SCHEMBL1814154 | 0.98 | NPSR1 (0.32) | NPSR1MAPTGRM2GRM3GRM4 | |
| SCHEMBL1809492 | 0.98 | NPSR1 (0.32) | NPSR1MAPTGRM2GRM3GRM4 | |
| SCHEMBL1814156 | 0.98 | NPSR1 (0.32) | NPSR1MAPTGRM2GRM3GRM4 | |
| Hydrochloric Acid SCHEMBL6291482 | 0.82 | OPRM1 (0.35) | MAPTCYP1A2CYP2C19LMNA | |
| Hydrochloric Acid SCHEMBL14689894 | 0.81 | NPSR1 (0.31) | NPSR1MAPT | |
| Hydrochloric Acid SCHEMBL31284824 | 0.81 | NPSR1 (0.31) | NPSR1MAPT | |
| SCHEMBL2746669 | 0.80 | NPSR1 (0.35) | NPSR1MAPTGRM2GRM3GRM4 | |
| SCHEMBL31231725 | 0.79 | NPSR1 (0.32) | NPSR1MAPT |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 20 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2496556-B1 | ACYLAMINO-SUBSTITUTED CYCLIC CARBOXYLIC ACID DERIVATIVES AND THEIR USE AS PHARMACEUTICALS | SANOFI SA (FR) | 2018-12-26 | — | — | EP | disclosed |
| CN-103649049-B | For 3-(biphenyl-3-base)-8,8-two fluoro-hydroxyl-1-azaspiro [4.5]-3-in the last of the ten Heavenly stems alkene-2-ketone being replaced treated and the spirocyclic ketoenols being optionally substituted by halogen | 拜耳知识产权有限责任公司 | 2016-06-29 | — | — | CN | disclosed |
| US-9278925-B2 | Substituted 3-(biphenyl-3-yl)-4-hydroxy-8-methoxy-1-azaspiro[4.5]dec-3-en-2-one | BAYER INTELLECTUAL PROPERTY GMBH (DE) | 2016-03-08 | — | — | US | disclosed |
| US-9018383-B2 | Acylamino-substituted cyclic carboxylic acid derivatives and their use as pharmaceuticals | SANOFI (FR) | 2015-04-28 | — | — | US | disclosed |
| US-9000026-B2 | Substituted 3-(biphenyl-3-yl)-8,8-difluoro-4-hydroxy-1-azaspiro[4.5]dec-3-en-2-ones for therapy | BAYER INTELLECTUAL PROPERTY GMBH (DE) | 2015-04-07 | — | — | US | disclosed |
| CN-103492367-B | Substituted 3- (biphenyl-3-yl) -8, 8-difluoro-4-hydroxy-1-azaspiro [4.5] dec-3-en-2-ones for use in therapy | BAYER IP GMBH | 2015-04-01 | — | — | CN | disclosed |
| US-8946124-B2 | Substituted 3-(biphenyl-3-yl)-8,8-difluoro-4-hydroxy-1-azaspiro[4.5]dec-3-en-2-ones for therapy and halogen-substituted spirocyclic ketoenols | BAYER INTELLECTUAL PROPERTY GMBH (DE) | 2015-02-03 | — | — | US | disclosed |
| US-20140275199-A1 | SUBSTITUTED 3-(BIPHENYL-3-YL)-4-HYDROXY-8-METHOXY-1-AZASPIRO[4.5]DEC-3-EN-2-ONE | BAYER INTELLECTUAL PROPERTY GMBH (DE) | 2014-09-18 | — | — | US | disclosed |
| CN-103842337-A | Substituted 3- (biphenyl-3-yl) -4-hydroxy-8-methoxy-1-azaspiro [4.5] dec-3-en-2-ones | BAYER IP GMBH | 2014-06-04 | — | — | CN | disclosed |
| US-20140088158-A1 | ACYLAMINO-SUBSTITUTED CYCLIC CARBOXYLIC ACID DERIVATIVES AND THEIR USE AS PHARMACEUTICALS | SANOFI (FR) | 2014-03-27 | — | — | US | disclosed |
| US-20140045696-A1 | SUBSTITUTED 3-(BIPHENYL-3-YL)-8,8-DIFLUORO-4-HYDROXY-1-AZASPIRO[4.5]DEC-3-EN-2-ONES FOR THERAPY AND HALOGEN-SUBSTITUTED SPIROCYCLIC KETOENOLS | BAYER INTELLECTUAL PROPERTY GMBH (DE) | 2014-02-13 | — | — | US | disclosed |
| US-20140011853-A1 | SUBSTITUTED 3-(BIPHENYL-3-YL)-8,8-DIFLUORO-4-HYDROXY-1-AZASPIRO[4.5]DEC-3-EN-2-ONES FOR THERAPY | BAYER INTELLECTUAL PROPERTY GMBH (DE) | 2014-01-09 | — | — | US | disclosed |
| CN-103492367-A | Substituted 3- (biphenyl-3-yl) -8, 8-difluoro-4-hydroxy-1-azaspiro [4.5] dec-3-en-2-ones for use in therapy | BAYER IP GMBH | 2014-01-01 | — | — | CN | disclosed |
| US-8618304-B2 | Acylamino-substituted cyclic carboxylic acid derivatives and their use as pharmaceuticals | SANOFI (FR) | 2013-12-31 | — | — | US | disclosed |
| US-20130040935-A1 | CYCLIC KETO-ENOLS FOR THERAPY | BAYER INTELLECTUAL PROPERTY GMBH (DE) | 2013-02-14 | — | — | US | disclosed |
| CN-102858745-A | Acylamino-substituted cyclic carboxylic acid derivatives and their use as medicaments | SANOFI AVENTIS | 2013-01-02 | — | — | CN | disclosed |
| CN-102844300-A | Cyclic ketoenols for use in therapy | BAYER SCHERING PHARMA AG | 2012-12-26 | — | — | CN | disclosed |
| US-20120264790-A1 | ACYLAMINO-SUBSTITUTED CYCLIC CARBOXYLIC ACID DERIVATIVES AND THEIR USE AS PHARMACEUTICALS | SANOFI (FR) | 2012-10-18 | — | — | US | disclosed |
| EP-2496556-A1 | ACYLAMINO-SUBSTITUTED CYCLIC CARBOXYLIC ACID DERIVATIVES AND THEIR USE AS PHARMACEUTICALS | SANOFI (FR) | 2012-09-12 | — | — | EP | disclosed |
| WO-2011053948-A1 | ACYLAMINO-SUBSTITUTED CYCLIC CARBOXYLIC ACID DERIVATIVES AND THEIR USE AS PHARMACEUTICALS | SANOFI-AVENTIS (FR) | 2011-05-05 | — | — | WO | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (6 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20140275199-A1 | SUBSTITUTED 3-(BIPHENYL-3-YL)-4-HYDROXY-8-METHOXY-1-AZASPIRO[4.5]DEC-3-EN-2-ONE | MALT1, UGT1A3, BMI1 | MMP1 4315/4885NPSR1 3562/4885MAPT 3938/4885 |
| US-20130040935-A1 | CYCLIC KETO-ENOLS FOR THERAPY | AKR1B1, AKR1C3, AKR1A1 | MMP1 4826/4885NPSR1 3998/4885MAPT 3891/4885 |
| US-20120264790-A1 | ACYLAMINO-SUBSTITUTED CYCLIC CARBOXYLIC ACID DERIVATIVES AND THEIR USE AS PHARMACEUTICALS | LPAR2, LIPG, EDF1 | MMP1 2607/4885NPSR1 984/4885MAPT 4725/4885 |
| US-20140045696-A1 | SUBSTITUTED 3-(BIPHENYL-3-YL)-8,8-DIFLUORO-4-HYDROXY-1-AZASPIRO[4.5]DEC-3-EN-2-ONES FOR THERAPY AND HALOGEN-SUBSTITUTED SPIROCYCLIC KETOENOLS | DDT, PDHX, CYP8B1 | MMP1 3023/4885NPSR1 3673/4885MAPT 4844/4885 |
| US-20140011853-A1 | SUBSTITUTED 3-(BIPHENYL-3-YL)-8,8-DIFLUORO-4-HYDROXY-1-AZASPIRO[4.5]DEC-3-EN-2-ONES FOR THERAPY | DDT, PDHA1, KCNH1 | MMP1 2713/4885NPSR1 3842/4885MAPT 4803/4885 |
| US-20140088158-A1 | ACYLAMINO-SUBSTITUTED CYCLIC CARBOXYLIC ACID DERIVATIVES AND THEIR USE AS PHARMACEUTICALS | LPAR2, LIPG, EDF1 | MMP1 2607/4885NPSR1 984/4885MAPT 4725/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.