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 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 known ✓ | Q99720 | 2/20 | 0.46 |
| ▸ | CHRM2 known ✓ | P08172 | 1/20 | 0.43 |
| ▸ | CHRM4 known ✓ | P08173 | 1/20 | 0.43 |
| ▸ | CHRM5 known ✓ | P08912 | 1/20 | 0.43 |
| ▸ | CHRM1 known ✓ | P11229 | 1/20 | 0.43 |
| ▸ | CHRM3 known ✓ | P20309 | 1/20 | 0.43 |
| ▸ | HRH2 known ✓ | P25021 | 1/20 | 0.43 |
| ▸ | HRH1 known ✓ | P35367 | 1/20 | 0.43 |
| ▸ | GNAO1 | P09471 | 8/20 | 0.56 |
| ▸ | GNAI3 | P08754 | 7/20 | 0.56 |
| ▸ | GNAI1 | P63096 | 7/20 | 0.56 |
| ▸ | CXCR4 | P61073 | 2/20 | 0.54 |
| ▸ | SOD3 | P08294 | 2/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.45 |
| ▸ | TLR8 | Q9NR97 | 1/20 | 0.44 |
| ▸ | TLR7 | Q9NYK1 | 1/20 | 0.44 |
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 SCHEMBL27894273 | 1.00 | GNAO1 (0.56) | GNAO1GNAI3GNAI1CXCR4SOD3 | |
| SCHEMBL160891 | 0.98 | CXCR4 (0.56) | GNAO1GNAI3GNAI1CXCR4SOD3 | |
| SCHEMBL8038174 | 0.98 | CXCR4 (0.56) | GNAO1GNAI3GNAI1CXCR4SOD3 | |
| SCHEMBL6744648 | 0.95 | CXCR4 (0.59) | GNAO1GNAI3GNAI1CXCR4SOD3 | |
| SCHEMBL19169974 | 0.95 | CXCR4 (0.59) | GNAO1GNAI3GNAI1CXCR4SOD3 | |
| Ammonia Solution, Strong SCHEMBL3391596 | 0.95 | CXCR4 (0.54) | GNAO1GNAI3GNAI1CXCR4SOD3 | |
| SCHEMBL21299356 | 0.95 | CXCR4 (0.59) | GNAO1GNAI3GNAI1CXCR4SOD3 | |
| Piperazine SCHEMBL28239114 | 0.95 | CXCR4 (0.59) | GNAO1GNAI3GNAI1CXCR4SOD3 | |
| SCHEMBL15656630 | 0.93 | CXCR4 (0.55) | GNAO1GNAI3GNAI1CXCR4SOD3 | |
| Hydrochloric Acid SCHEMBL5717470 | 0.93 | GNAO1 (0.65) | GNAO1GNAI3GNAI1CXCR4SOD3 |
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-0091511-A2 | 1-(3-(6-Fluoro-1,2-benzisoxazol-3-yl)propyl)-4-(substituted)-piperazines and -piperidines, a process for the preparation thereof, pharmaceutical compositions containing the same and their use as medicaments | HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) | 1983-10-19 | — | — | EP | claimed |
| EP-1558595-B1 | PIPERAZINYL AND DIAZAPANYL BENZAMIDES AND BENZTHIOAMIDES | JANSSEN PHARMACEUTICA NV (BE) | 2009-11-25 | — | — | EP | disclosed |
| CN-100558718-C | Piperazinyl and diazacyclo heptyl benzene methane amide and thiobenzamide | JANSSEN PHARMACEUTICA NV (BE) | 2009-11-11 | — | — | CN | disclosed |
| EP-1325910-B1 | ALIPHATIC NITROGENOUS FIVE-MEMBERED RING COMPOUNDS | MITSUBISHI TANABE PHARMA CORP (JP) | 2008-09-17 | — | — | EP | disclosed |
| US-7414047-B2 | Piperazinyl and diazapanyl benzamides and benzthioamides | JANSSEN PHARMACEUTICA N.V. (BE) | 2008-08-19 | — | — | US | disclosed |
| US-20080056991-A1 | PIPERAZINYL AND DIAZAPANYL BENZAMIDES AND BENZTHIOAMIDES | APODACA RICHARD L | 2008-03-06 | — | — | US | disclosed |
| US-7160877-B2 | Aliphatic nitrogen-containing 5-membered ring compound | TANABE SEIYAKU CO., LTD. (JP) | 2007-01-09 | — | — | US | disclosed |
| CN-1729180-A | Piperazinyl and diazapanyl benzamides and benzthioamides | JANSSEN PHARMACEUTICA NV (BE) | 2006-02-01 | — | — | CN | disclosed |
| EP-1558595-A1 | PIPERAZINYL AND DIAZAPANYL BENZAMIDES AND BENZTHIOAMIDES | JANSSEN PHARMACEUTICA N.V. (BE) | 2005-08-03 | — | — | EP | disclosed |
| US-6849622-B2 | Aliphatic nitrogenous five-membered ring compounds | TANABE SEIYAKU CO., LTD. (JP) | 2005-02-01 | — | — | US | disclosed |
| US-20040229926-A1 | Aliphatic nitrogen - containing 5 - membered ring compound | TANABE SEIYAKU CO., LTD. | 2004-11-18 | — | — | US | disclosed |
| US-20040110746-A1 | Piperazinyl and diazapanyl benzamides and benzthioamides | JANSSEN PHARMACEUTICA N.V. (BE) | 2004-06-10 | — | — | US | disclosed |
| WO-2004037801-A1 | PIPERAZINYL AND DIAZAPANYL BENZAMIDES AND BENZTHIOAMIDES | JANSSEN PHARMACEUTICA, N.V. (BE) | 2004-05-06 | — | — | WO | disclosed |
| US-20040063935-A1 | Aliphatic nitrogenous five-membered ring compounds | TANABE SEIYAKU CO., LTD. (JP) | 2004-04-01 | — | — | US | disclosed |
| EP-1325910-A1 | ALIPHATIC NITROGENOUS FIVE-MEMBERED RING COMPOUNDS | TANABE SEIYAKU CO., LTD. (JP) | 2003-07-09 | — | — | EP | disclosed |
| EP-0091511-B1 | 1-(3-(6-FLUORO-1,2-BENZISOXAZOL-3-YL)PROPYL)-4-(SUBSTITUTED)-PIPERAZINES AND -PIPERIDINES, A PROCESS FOR THE PREPARATION THEREOF, PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AND THEIR USE AS MEDICAMENTS | HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) | 1988-05-11 | — | — | EP | disclosed |
| US-4610988-A | HYPOTENSIVE AGENTS | HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) | 1986-09-09 | — | — | US | disclosed |
| US-4609658-A | ANTIPSYCHOTIC, ANALGESIC | HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) | 1986-09-02 | — | — | US | disclosed |
| US-4604395-A | NERVOUS SYSTEM DISORDERS, ANALGESICS, HYPOTENSIVE AGENTS | HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) | 1986-08-05 | — | — | US | disclosed |
| US-4536578-A | ANTIHALLUCINOGENS, HYPOTENSIVE AGENTS | HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) | 1985-08-20 | — | — | 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 (4 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-20040063935-A1 | Aliphatic nitrogenous five-membered ring compounds | H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, SCN5A, CYP11B1 | SIGMAR1 158/4885CHRM2 1722/4885CHRM4 3134/4885 |
| US-20080056991-A1 | PIPERAZINYL AND DIAZAPANYL BENZAMIDES AND BENZTHIOAMIDES | HRH2, HNMT, HRH3 | SIGMAR1 3559/4885CHRM2 796/4885CHRM4 1589/4885 |
| US-20040110746-A1 | Piperazinyl and diazapanyl benzamides and benzthioamides | HRH2, HNMT, HRH3 | SIGMAR1 3559/4885CHRM2 796/4885CHRM4 1589/4885 |
| US-20040229926-A1 | Aliphatic nitrogen - containing 5 - membered ring compound | H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CYP11B1, CYP11B2 | SIGMAR1 118/4885CHRM2 1596/4885CHRM4 2997/4885 |
“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.