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 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRB2 known ✓ | P07550 | 1/20 | 1.00 |
| ▸ | HTR3E known ✓ | A5X5Y0 | 3/20 | 0.50 |
| ▸ | HTR3B known ✓ | O95264 | 3/20 | 0.50 |
| ▸ | HTR3A known ✓ | P46098 | 3/20 | 0.50 |
| ▸ | HTR3D known ✓ | Q70Z44 | 3/20 | 0.50 |
| ▸ | HTR3C known ✓ | Q8WXA8 | 3/20 | 0.50 |
| ▸ | ADRB1 known ✓ | P08588 | 3/20 | 0.46 |
| ▸ | HTR2C known ✓ | P28335 | 3/20 | 0.45 |
| ▸ | HTR1A known ✓ | P08908 | 2/20 | 0.45 |
| ▸ | SLC6A4 known ✓ | P31645 | 1/20 | 0.45 |
| ▸ | HTR7 known ✓ | P34969 | 1/20 | 0.45 |
| ▸ | HTR6 known ✓ | P50406 | 1/20 | 0.45 |
| ▸ | HTR2A known ✓ | P28223 | 2/20 | 0.43 |
| ▸ | HRH3 known ✓ | Q9Y5N1 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.50 |
| ▸ | BPTF | Q12830 | 1/20 | 0.47 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL906077 | 0.98 | ADRB2 (0.97) | ADRB2CYP1A2HTR3EHTR3BHTR3A | |
| SCHEMBL29388809 | 0.98 | ADRB2 (0.97) | ADRB2CYP1A2HTR3EHTR3BHTR3A | |
| Tert-Butyl Formate SCHEMBL27809039 | 0.86 | ADRB2 (0.74) | ADRB2CYP1A2HTR3EHTR3BHTR3A | |
| SCHEMBL23779626 | 0.83 | ADRB2 (0.70) | ADRB2CYP1A2ALDH1A1MAPK1HTT | |
| SCHEMBL12780912 | 0.83 | ADRB2 (0.70) | ADRB2CYP1A2ALDH1A1MAPK1HTT | |
| SCHEMBL12763838 | 0.80 | ADRB2 (0.67) | ADRB2CYP1A2LCATCXCR3 | |
| SCHEMBL5585596 | 0.79 | ADRB2 (0.65) | ADRB2ALDH1A1HTR2CLCATCXCR3 | |
| SCHEMBL5585785 | 0.79 | ADRB2 (0.65) | ADRB2ALDH1A1HTR2CLCATCXCR3 | |
| SCHEMBL5585598 | 0.79 | ADRB2 (0.65) | ADRB2ALDH1A1HTR2CLCATCXCR3 | |
| SCHEMBL25390151 | 0.79 | ADRB2 (0.65) | ADRB2CYP1A2CYP2C9CYP3A4CYP2C19 |
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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20040038985-A1 | Crystal forms of 1- [6-chloro-5-(trifluoromethly) -2-pyridinyl] piperazine hydrochloride | AKZO NOBEL N.V. (NL) | 2004-02-26 | — | — | US | claimed |
| CN-1469863-A | Crystalline forms of 1- [ 6-chloro-5- (trifluoromethyl) -2-pyridinyl ] piperazine hydrochloride | ��˹��ŵ�� | 2004-01-21 | — | — | CN | claimed |
| EP-1326837-A1 | CRYSTAL FORMS OF 1- 6-CHLORO-5-(TRIFLUOROMETHYL)-2-PYRIDINYL]PIPERAZINE.HYDROCHLORIDE | Akzo Nobel N.V. (NL) | 2003-07-16 | — | — | EP | claimed |
| WO-2002030902-A1 | CRYSTAL FORMS OF 1-[6-CHLORO-5-(TRIFLUOROMETHYL)-2-PYRIDINYL]PIPERAZINE.HYDROCHLORIDE | AKZO NOBEL N.V. (NL) | 2002-04-18 | — | — | WO | claimed |
| US-7229997-B2 | Compounds and their use | BIOVITRUM AB (SE) | 2007-06-12 | — | — | US | disclosed |
| EP-1506185-B1 | COMPOUNDS AND THEIR USE AS INHIBITORS OF 5-HT | BIOVITRUM AB (SE) | 2006-05-24 | — | — | EP | disclosed |
| US-6987124-B2 | Use of serotonergic compound for a method of treatment of hot flushes in post-menopausal women | AKZO NOBEL N.V. (NL) | 2006-01-17 | — | — | US | disclosed |
| EP-1506185-A1 | NOVEL COMPOUNDS AND THEIR USE | Biovitrum AB (SE) | 2005-02-16 | — | — | EP | disclosed |
| WO-2002030902-A8 | CRYSTAL FORMS OF 1-[6-CHLORO-5-(TRIFLUOROMETHYL)-2-PYRIDINYL]PIPERAZINE.HYDROCHLORIDE | AKZO NOBEL NV (NL) | 2004-02-26 | — | — | WO | disclosed |
| WO-2002030902-A8 | CRYSTAL FORMS OF 1-[6-CHLORO-5-(TRIFLUOROMETHYL)-2-PYRIDINYL]PIPERAZINE.HYDROCHLORIDE | AKZO NOBEL NV (NL) | 2004-02-26 | — | — | WO | disclosed |
| US-20040038985-A1 | Crystal forms of 1- [6-chloro-5-(trifluoromethly) -2-pyridinyl] piperazine hydrochloride | AKZO NOBEL N.V. (NL) | 2004-02-26 | — | — | US | disclosed |
| US-20040038985-A1 | Crystal forms of 1- [6-chloro-5-(trifluoromethly) -2-pyridinyl] piperazine hydrochloride | AKZO NOBEL N.V. (NL) | 2004-02-26 | — | — | US | disclosed |
| US-20030040519-A1 | Use of serotonergic compound for a method of treatment of hot flushes in post-menopausal women | AKZO NOBEL N.V. (NL) | 2003-02-27 | — | — | US | disclosed |
| US-20030032646-A1 | Use of serotonergic compound for a method of treatment of hot flushes in post-menopausal women | N.V. ORGANON (NL) | 2003-02-13 | — | — | US | disclosed |
| US-6498184-B2 | USE OF THE SELECTIVE 5-HT2C RECEPTOR AGONISTS 1-(6-CHLORO-5-(TRIFLUOROMETHYL)-2-PYRIDINYL)-PIPERAZINE AND (S)-(+)-3-((2,3-DIHYDRO-5-METHOXY-1H-INDEN-4-YL)OXY-PYRROLIDINE | AKZO NOBEL N.V. (NL) | 2002-12-24 | — | — | US | disclosed |
| US-20020103206-A1 | Serotonergic compound for a method of treatment of hot flushes in post-menopausal women | N.V. ORGANON (NL) | 2002-08-01 | — | — | US | disclosed |
| EP-1213017-A2 | Use of a 5-HT2C receptor agonist for the treatment of hot flushes | Akzo Nobel N.V. (NL) | 2002-06-12 | — | — | EP | disclosed |
| WO-2002030902-A1 | CRYSTAL FORMS OF 1-[6-CHLORO-5-(TRIFLUOROMETHYL)-2-PYRIDINYL]PIPERAZINE.HYDROCHLORIDE | AKZO NOBEL N.V. (NL) | 2002-04-18 | — | — | WO | disclosed |
| WO-2002030902-A1 | CRYSTAL FORMS OF 1-[6-CHLORO-5-(TRIFLUOROMETHYL)-2-PYRIDINYL]PIPERAZINE.HYDROCHLORIDE | AKZO NOBEL N.V. (NL) | 2002-04-18 | — | — | WO | disclosed |
| WO-2002030902-A1 | CRYSTAL FORMS OF 1-[6-CHLORO-5-(TRIFLUOROMETHYL)-2-PYRIDINYL]PIPERAZINE.HYDROCHLORIDE | AKZO NOBEL N.V. (NL) | 2002-04-18 | — | — | 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 (1 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-20040038985-A1 | Crystal forms of 1- [6-chloro-5-(trifluoromethly) -2-pyridinyl] piperazine hydrochloride | HTR5A, HTR1B, SEC62 | ADRB2 624/4885HTR3E 68/4885HTR3B 10/4885 |
“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.