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 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR1A known ✓ | P08908 | 14/20 | 0.65 |
| ▸ | HTR3A known ✓ | P46098 | 14/20 | 0.65 |
| ▸ | ADRB1 known ✓ | P08588 | 7/20 | 0.59 |
| ▸ | ADRB2 known ✓ | P07550 | 2/20 | 0.56 |
| ▸ | HRH2 known ✓ | P25021 | 2/20 | 0.56 |
| ▸ | HTR1B known ✓ | P28222 | 2/20 | 0.56 |
| ▸ | HTR2A known ✓ | P28223 | 2/20 | 0.56 |
| ▸ | HTR2C known ✓ | P28335 | 2/20 | 0.56 |
| ▸ | SLC6A4 known ✓ | P31645 | 2/20 | 0.56 |
| ▸ | HTR7 known ✓ | P34969 | 2/20 | 0.56 |
| ▸ | HRH1 known ✓ | P35367 | 2/20 | 0.56 |
| ▸ | HTR5A known ✓ | P47898 | 2/20 | 0.56 |
| ▸ | HTR6 known ✓ | P50406 | 2/20 | 0.56 |
| ▸ | PTGS1 known ✓ | P23219 | 1/20 | 0.54 |
| ▸ | PTGS2 known ✓ | P35354 | 1/20 | 0.54 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.56 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.56 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.56 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.56 |
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 | |
|---|---|---|---|---|
| SCHEMBL29805912 | 0.98 | HTR1A (0.62) | HTR1AHTR3AADRB1CYP1A2ADRB2 | |
| SCHEMBL255418 | 0.98 | HTR1A (0.62) | HTR1AHTR3AADRB1CYP1A2ADRB2 | |
| SCHEMBL18868684 | 0.90 | ADRB1 (0.66) | HTR1AHTR3AADRB1CYP1A2ADRB2 | |
| Hydrochloric Acid SCHEMBL2534803 | 0.85 | HTR3A (0.68) | HTR1AHTR3AADRB1CYP1A2ADRB2 | |
| SCHEMBL255197 | 0.83 | HTR3A (0.67) | HTR1AHTR3AADRB1CYP1A2ADRB2 | |
| Hydrochloric Acid SCHEMBL19385628 | 0.82 | HTR3A (0.62) | HTR1AHTR3AADRB1CYP1A2ADRB2 | |
| SCHEMBL3162979 | 0.80 | SLC18A3 (0.57) | — | |
| SCHEMBL28188649 | 0.80 | SLC18A3 (0.57) | HTR1A | |
| SCHEMBL255186 | 0.80 | HTR3A (0.64) | HTR1AHTR3AADRB1CYP1A2ADRB2 | |
| SCHEMBL7537170 | 0.80 | ADRB1 (0.58) | HTR1AHTR3AADRB1CYP1A2CYP3A4 |
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 13 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7772252-B2 | Heterocyclic substituted carbonyl derivatives and their use as dopamine D3 receptor ligands | AVENTIS PHARMACEUTICALS INC. (US) | 2010-08-10 | — | — | US | disclosed |
| EP-1935887-B1 | Heterocyclic substituted carbonyl derivatives and their use as dopamine D3 receptor ligands | AVENTIS PHARMA INC (US) | 2010-01-13 | — | — | EP | disclosed |
| US-20090247509-A1 | Novel Heterocyclic Substituted Carbonyl Derivatives and Their Use as Dopamine D3 Receptor Ligands | AVENTIS PHARMACEUTICALS INC. (US) | 2009-10-01 | — | — | US | disclosed |
| US-7521445-B2 | Heterocyclic substituted carbonyl derivatives and their use as dopamine D3 receptor ligands | AVENTIS PHARMACEUTICALS INC. (US) | 2009-04-21 | — | — | US | disclosed |
| EP-1632483-B1 | HETEROCYCLIC SUBSTITUTED CARBONYL DERIVATIVES AND THEIR USE AS DOPAMINE D3 RECEPTOR LIGANDS | AVENTIS PHARMA INC (US) | 2008-10-29 | — | — | EP | disclosed |
| EP-1935887-A1 | Heterocyclic substituted carbonyl derivatives and their use as dopamine D3 receptor ligands | Aventis Pharmaceuticals, Inc. (US) | 2008-06-25 | — | — | EP | disclosed |
| US-20070161641-A1 | Novel heterocyclic substituted carbonyl derivatives and their use as dopamine D3 receptor ligands | AVENTIS PHARMACEUTICALS INC. (US) | 2007-07-12 | — | — | US | disclosed |
| US-7186724-B2 | Heterocyclic substituted carbonyl derivatives and their use as dopamine D3 receptor ligands | AVENTIS PHARMACEUTICALS INC. (US) | 2007-03-06 | — | — | US | disclosed |
| EP-1632483-A1 | HETEROCYCLIC SUBSTITUTED CARBONYL DERIVATIVES AND THEIR USE AS DOPAMINE D3 RECEPTOR LIGANDS | Aventis Pharmaceuticals Inc. (US) | 2006-03-08 | — | — | EP | disclosed |
| EP-1362039-B1 | HETEROCYCLIC SUBSTITUTED CARBONYL DERIVATIVES AND THEIR USE AS DOPAMINE D3 RECEPTOR LIGANDS | AVENTIS PHARMA INC (US) | 2005-12-21 | — | — | EP | disclosed |
| US-20040220173-A1 | Novel heterocyclic substituted carbonyl derivatives and their use as dopamine D3 receptor | AVENTIS PHARMACEUTICAL INC. (US) | 2004-11-04 | — | — | US | disclosed |
| EP-1362039-A1 | HETEROCYCLIC SUBSTITUTED CARBONYL DERIVATIVES AND THEIR USE AS DOPAMINE D3 RECEPTOR LIGANDS | Aventis Pharmaceuticals, Inc. (US) | 2003-11-19 | — | — | EP | disclosed |
| WO-2002066446-A1 | HETEROCYCLIC SUBSTITUTED CARBONYL DERIVATIVES AND THEIR USE AS DOPAMINE D3 RECEPTOR LIGANDS | AVENTIS PHARMACEUTICALS INC. (US) | 2002-08-29 | — | — | 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 (3 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-20040220173-A1 | Novel heterocyclic substituted carbonyl derivatives and their use as dopamine D3 receptor | DRD3, DRD2, DRD1 | HTR1A 41/4885HTR3A 9/4885ADRB1 251/4885 |
| US-20090247509-A1 | Novel Heterocyclic Substituted Carbonyl Derivatives and Their Use as Dopamine D3 Receptor Ligands | DRD3, DRD2, HTR3C | HTR1A 50/4885HTR3A 6/4885ADRB1 261/4885 |
| US-20070161641-A1 | Novel heterocyclic substituted carbonyl derivatives and their use as dopamine D3 receptor ligands | DRD3, DRD2, HTR3C | HTR1A 49/4885HTR3A 6/4885ADRB1 305/4885 |
“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.