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 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | OPRM1 known ✓ | P35372 | 2/20 | 0.68 |
| ▸ | DRD4 known ✓ | P21917 | 1/20 | 0.52 |
| ▸ | GAA known ✓ | P10253 | 1/20 | 0.49 |
| ▸ | CHRM4 known ✓ | P08173 | 2/20 | 0.48 |
| ▸ | OPRL1 | P41146 | 6/20 | 0.58 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.49 |
| ▸ | LMNA | P02545 | 1/20 | 0.47 |
| ▸ | HTT | P42858 | 1/20 | 0.47 |
| ▸ | POLB | P06746 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL3132774 | 0.99 | OPRM1 (0.70) | OPRM1OPRL1DRD4KDM4EALDH1A1 | |
| SCHEMBL8350152 | 0.85 | OPRM1 (0.75) | OPRM1OPRL1DRD4KDM4EALDH1A1 | |
| Hydrochloric Acid SCHEMBL2473959 | 0.84 | OPRM1 (0.97) | OPRM1OPRL1DRD4CHRM4POLB | |
| SCHEMBL701266 | 0.83 | OPRM1 (0.75) | OPRM1OPRL1ALDH1A1CHRM4POLB | |
| SCHEMBL3527471 | 0.83 | OPRL1 (0.57) | OPRM1OPRL1DRD4KDM4EALDH1A1 | |
| SCHEMBL476404 | 0.82 | OPRM1 (1.00) | OPRM1OPRL1DRD4CHRM4POLB | |
| Hydrochloric Acid SCHEMBL4813917 | 0.82 | OPRL1 (0.84) | OPRM1OPRL1DRD4KDM4ECHRM4 | |
| SCHEMBL4817542 | 0.81 | OPRL1 (0.62) | OPRM1OPRL1DRD4KDM4EALDH1A1 | |
| SCHEMBL3136902 | 0.81 | OPRL1 (0.86) | OPRM1OPRL1DRD4CHRM4LMNA | |
| SCHEMBL4437271 | 0.79 | KDM1A (0.50) | OPRM1OPRL1 |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20100240670-A1 | 4-[(ARYLMETHYL)AMINOMETHYL]PIPERIDINE DERIVATIVES, THEIR PREPARATION AND THEIR THERAPEUTIC APPLICATION | SANOFI-AVENTIS (FR) | 2010-09-23 | — | — | US | disclosed |
| US-7652011-B2 | Treating chronic neuropathic or inflammatory pain; [(1-methyl-1H-pyrrol-2-yl)methyl][[1-[(4-pyrazin-2-ylpiperazin-1-yl)acetyl]-4-[3-trifluoromethyl)phenyl]piperid-4-yl]methyl]amine | SANOFI-AVENTIS (FR) | 2010-01-26 | — | — | US | disclosed |
| CN-100448875-C | Substituted 1-piperazinoylpiperidine derivatives, their preparation and therapeutic use | SANOFI AVENTIS (FR) | 2009-01-07 | — | — | CN | disclosed |
| US-7468368-B2 | Piperazinylacylpiperidine derivatives, their preparation and therapeutic use thereof | SANOFI AVENTIS (FR) | 2008-12-23 | — | — | US | disclosed |
| US-7423039-B2 | (4-phenylpiperazin-1-yl)acylpiperidine derivatives, preparation thereof and application of same in therapeutics | SANOFI-AVENTIS (FR) | 2008-09-09 | — | — | US | disclosed |
| US-7294628-B2 | Piperazinylacylpiperidine derivatives, their preparation and therapeutic use thereof | SANOFI-AVENTIS (FR) | 2007-11-13 | — | — | US | disclosed |
| US-20070037819-A1 | Treating chronic neuropathic or inflammatory pain; [(1-methyl-1H-pyrrol-2-yl)methyl][[1-[(4-pyrazin-2-ylpiperazin-1-yl)acetyl]-4-[3-trifluoromethyl)phenyl]piperid-4-yl]methyl]amine | SANOFI-AVENTIS (FR) | 2007-02-15 | — | — | US | disclosed |
| US-20070021609-A1 | 4-PHENYLPIPERAZIN-1-YL)ACYLPIPERIDINE DERIVATIVES, PREPARATION THEREOF AND APPLICATION OF SAME IN THERAPEUTICS | SANOFI-AVENTIS (FR) | 2007-01-25 | — | — | US | disclosed |
| US-20060167007-A1 | Piperazinylacylpiperidine derivatives, their preparation and therapeutic use thereof | SANOFI-AVENTIS (FR) | 2006-07-27 | — | — | US | disclosed |
| CN-1675203-A | Substituted 1-piperazinoylpiperidine derivatives, their preparation and therapeutic use | SANOFI AVENTIS (FR) | 2005-09-28 | — | — | CN | disclosed |
| US-20050176722-A1 | Piperazinylacylpiperidine derivatives, their preparation and therapeutic use thereof | SANOFI-AVENTIS (FR) | 2005-08-11 | — | — | US | 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 (5 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-20070037819-A1 | Treating chronic neuropathic or inflammatory pain; [(1-methyl-1H-pyrrol-2-yl)methyl][[1-[(4-pyrazin-2-ylpiperazin-1-yl)acetyl]-4-[3-trifluoromethyl)phenyl]piperid-4-yl]methyl]amine | TRPV1, IL1B, OPRK1 | OPRM1 15/4885DRD4 3099/4885GAA 2921/4885 |
| US-20100240670-A1 | 4-[(ARYLMETHYL)AMINOMETHYL]PIPERIDINE DERIVATIVES, THEIR PREPARATION AND THEIR THERAPEUTIC APPLICATION | AQP4, AQP1, IL4I1 | OPRM1 380/4885DRD4 2208/4885GAA 321/4885 |
| US-20070021609-A1 | 4-PHENYLPIPERAZIN-1-YL)ACYLPIPERIDINE DERIVATIVES, PREPARATION THEREOF AND APPLICATION OF SAME IN THERAPEUTICS | AGPAT5, DNPEP, AGPAT2 | OPRM1 2967/4885DRD4 3543/4885GAA 478/4885 |
| US-20060167007-A1 | Piperazinylacylpiperidine derivatives, their preparation and therapeutic use thereof | NR5A2, NR3C2, NR3C1 | OPRM1 104/4885DRD4 331/4885GAA 4362/4885 |
| US-20050176722-A1 | Piperazinylacylpiperidine derivatives, their preparation and therapeutic use thereof | NR5A2, NR3C1, CBR1 | OPRM1 52/4885DRD4 238/4885GAA 4332/4885 |
“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.