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 | |
|---|---|---|---|---|
| ▸ | AVPR1A known ✓ | P37288 | 7/20 | 0.51 |
| ▸ | CHRM4 known ✓ | P08173 | 1/20 | 0.39 |
| ▸ | CNR1 | P21554 | 2/20 | 0.44 |
| ▸ | TPSAB1 | Q15661 | 4/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | RBP4 | P02753 | 1/20 | 0.38 |
| ▸ | USP10 | Q14694 | 1/20 | 0.38 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.38 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL613475 | 0.99 | AVPR1A (0.51) | AVPR1ACNR1CHRM4TPSAB1ALDH1A1 | |
| Hydrochloric Acid SCHEMBL612591 | 0.92 | AVPR1A (0.51) | AVPR1ACNR1CHRM4ALDH1A1POLB | |
| SCHEMBL612434 | 0.91 | AVPR1A (0.52) | AVPR1ACNR1CHRM4ALDH1A1POLB | |
| Hydrochloric Acid SCHEMBL615449 | 0.91 | RBP4 (0.50) | AVPR1ACNR1RBP4ENPP2 | |
| SCHEMBL613555 | 0.90 | AVPR1A (0.62) | AVPR1ACNR1CHRM4ALDH1A1POLB | |
| SCHEMBL615322 | 0.90 | RBP4 (0.51) | AVPR1ARBP4ENPP2 | |
| SCHEMBL612430 | 0.88 | AVPR1A (0.48) | AVPR1ACNR1TPSAB1ALDH1A1RBP4 | |
| SCHEMBL615132 | 0.88 | CNR1 (0.47) | AVPR1ACNR1TPSAB1ALDH1A1RBP4 | |
| SCHEMBL614569 | 0.88 | AVPR1A (0.47) | AVPR1ACNR1TPSAB1RBP4ENPP2 | |
| SCHEMBL613526 | 0.86 | CNR1 (0.47) | AVPR1ACNR1TPSAB1ALDH1A1RBP4 |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20120040990-A1 | INDOL-3-Y-CARBONYL-PIPERIDIN AND PIPERAZIN-DERIVATIVES | BISSANTZ CATERINA (FR) | 2012-02-16 | — | — | US | disclosed |
| CN-102295636-A | Indol-3-y-carbonyl-piperidin and piperazin-derivatives | — | 2011-12-28 | — | — | CN | disclosed |
| EP-2392571-A2 | Indol-3-yl-carbonyl-piperidin and piperazin derivatives | F. Hoffmann-La Roche AG (CH) | 2011-12-07 | — | — | EP | disclosed |
| US-20100222357-A1 | INDOL-3-Y-CARBONYL-PIPERIDIN AND PIPERAZIN-DERIVATIVES | BISSANTZ CATERINA | 2010-09-02 | — | — | US | disclosed |
| US-7781436-B2 | Indol-3-y-carbonyl-piperidin and piperazin-derivatives | HOFFMANN-LA ROCHE INC. (US) | 2010-08-24 | — | — | US | disclosed |
| EP-1917255-A2 | INDOL-3-YL-CARBONYL-PIPERIDIN AND PIPERAZIN DERIVATIVES | F. Hoffmann-Roche AG (CH) | 2008-05-07 | — | — | EP | disclosed |
| WO-2007014851-A2 | INDOL-3-YL-CARBONYL-PIPERIDIN AND PIPERAZIN DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2007-02-08 | — | — | WO | disclosed |
| US-20070027163-A1 | Indol-3-y-carbonyl-piperidin and piperazin-derivatives | HOFFMANN-LA ROCHE INC. | 2007-02-01 | — | — | 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 (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-20100222357-A1 | INDOL-3-Y-CARBONYL-PIPERIDIN AND PIPERAZIN-DERIVATIVES | AVPR1A, AVPR2, OXTR | AVPR1A 1/4885CHRM4 1856/4885CNR1 31/4885 |
| US-20120040990-A1 | INDOL-3-Y-CARBONYL-PIPERIDIN AND PIPERAZIN-DERIVATIVES | AVPR1A, AVPR2, OXTR | AVPR1A 1/4885CHRM4 1856/4885CNR1 31/4885 |
| US-20070027163-A1 | Indol-3-y-carbonyl-piperidin and piperazin-derivatives | AVPR1A, AVPR2, OXTR | AVPR1A 1/4885CHRM4 1856/4885CNR1 31/4885 |
“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.