Hydrochloric Acid

Hydrochloric Acid

SCHEMBL6801909

Cl.Cl.NCCN1CCC(=C2c3ccccc3C=Cc3ccccc32)CC1

nearest known ligand 0.66

Full drug profile on Sugi Atlas →

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)

geneUniProtsupporting neighboursconfidence
DRD3 known ✓ P35462 3/20 0.62
HTR1A known ✓ P08908 3/20 0.62
DRD2 known ✓ P14416 3/20 0.62
CHRM2 known ✓ P08172 2/20 0.62
ADRA2A known ✓ P08913 2/20 0.62
CHRM1 known ✓ P11229 2/20 0.62
DRD1 known ✓ P21728 2/20 0.62
SLC6A2 known ✓ P23975 2/20 0.62
SLC6A4 known ✓ P31645 2/20 0.62
ADRA1A known ✓ P35348 2/20 0.62
OPRM1 known ✓ P35372 2/20 0.62
SLC6A3 known ✓ Q01959 2/20 0.62
KCNH2 known ✓ Q12809 2/20 0.62
HTR2A known ✓ P28223 2/20 0.62
HTR6 known ✓ P50406 2/20 0.62
CHRM4 known ✓ P08173 1/20 0.62
CHRM5 known ✓ P08912 1/20 0.62
ADRA2B known ✓ P18089 1/20 0.62
ADRA2C known ✓ P18825 1/20 0.62
CHRM3 known ✓ P20309 1/20 0.62

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.

Compoundsimilaritytop predictedshared targets
SCHEMBL2863030 0.98 SETD7 (0.68) SETD7MEN1LMNAMAPTPMP22
SCHEMBL6803898 0.90 SETD7 (0.71) SETD7MEN1LMNAMAPTPMP22
Hydrochloric Acid SCHEMBL7212508 0.85 SETD7 (0.77) SETD7MEN1LMNAMAPTPMP22
SCHEMBL9455504 0.83 SETD7 (0.68) SETD7MEN1LMNAMAPTPMP22
Hydrochloric Acid SCHEMBL7212638 0.82 SETD7 (0.62) SETD7MEN1LMNAMAPTPMP22
SCHEMBL6808721 0.81 SETD7 (0.65) SETD7MEN1LMNAMAPTPMP22
SCHEMBL9034546 0.81 SETD7 (0.64) SETD7MEN1LMNAMAPTPMP22
SCHEMBL7218739 0.81 SETD7 (0.75) SETD7MEN1LMNAMAPTPMP22
Hydrochloric Acid SCHEMBL9034037 0.80 SETD7 (0.97) SETD7MEN1LMNAMAPTPMP22
Hydrochloric Acid SCHEMBL7213774 0.80 SETD7 (0.97) SETD7MEN1LMNAMAPTPMP22

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040063701-A1 Piperidine derivatives and anti-platelet agents containing the same AJINOMOTO CO., INC (JP) 2004-04-01 US disclosed
EP-0770602-B1 Crystals of piperidine derivatives, intermediates for production of the same, and process for producing the same AJINOMOTO KK (JP) 2003-12-10 EP disclosed
US-20020147195-A1 Piperidine derivatives and anti-platelet agents containing the same AJINOMOTO CO., INC. (JP) 2002-10-10 US disclosed
US-6444821-B2 HUMIDITY-CONTROLLING THE CRYSTALS OF N-(2-(4-(5H-DIBENZO(A,D)CYCLOHEPTEN-5-YLIDENE)-PIPERIDINO)ETHYL)-1-FORMYL-4 -PIPERIDINECARBOXAMIDE HYDROCHLORIDE ANHYDRIDE AJINOMOTO CO., INC. (JP) 2002-09-03 US disclosed
US-20020019533-A1 PIPERIDINE DERIVATIVES AND ANTI-PLATELET AGENTS CONTAINING THE SAME MAKINO SHINGO (JP) 2002-02-14 US disclosed
US-20010056102-A1 Crystals of piperidine derivatives, intermediates for production of the same, and process for producing the same AJINOMOTO CO., INC. (JP) 2001-12-27 US disclosed
EP-0682015-B1 Piperidine derivates and anti-platelet agents containing the same AJINOMOTO KK (JP) 2001-08-22 EP disclosed
EP-1103544-A2 Piperidine derivatives and antiplatelet agents containing the same Ajinomoto Co., Inc. (JP) 2001-05-30 EP disclosed
US-6232323-B1 N-(2-(4-(5H-DIBENZO(A,D)CYCLOHEPTEN-5-YLIDENE)-PIPERIDINO)ETHY L)-1-FORMYL-4-PIPERIDINECARBOXAMIDE HYDROCHLORIDE TRIHYDRATE AJINOMOTO CO., INC. (JP) 2001-05-15 US disclosed
US-6184233-B1 CRYSTALS HAVING STORAGE STABILITY, ORAL ABSORPTION, SOLUBILITY; HYPOTENSIVE AGENTS, PLATELET AGGLUTINATION CONTROL AGENTS AJINOMOTO CO., INC. (JP) 2001-02-06 US disclosed
EP-0770602-A2 Crystals of piperidine derivatives, intermediates for production of the same, and process for producing the same Ajinomoto Co., Inc. (JP) 1997-05-02 EP disclosed
EP-0682015-A1 Piperidine derivates and anti-platelet agents containing the same Ajinomoto Co., Inc. (JP) 1995-11-15 EP 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.

PatentTitleText reads most aboutPredicted target · text-rank
US-20010056102-A1 Crystals of piperidine derivatives, intermediates for production of the same, and process for producing the same DCTD, DDC, QDPR DRD3 157/4885HTR1A 1260/4885DRD2 80/4885
US-20020019533-A1 PIPERIDINE DERIVATIVES AND ANTI-PLATELET AGENTS CONTAINING THE SAME HTR2A, PDGFRA, PDGFRB DRD3 164/4885HTR1A 5/4885DRD2 37/4885
US-20020147195-A1 Piperidine derivatives and anti-platelet agents containing the same HTR2A, PDGFRA, PDGFRB DRD3 164/4885HTR1A 5/4885DRD2 37/4885
US-20040063701-A1 Piperidine derivatives and anti-platelet agents containing the same HTR2A, PDGFRA, PDGFRB DRD3 164/4885HTR1A 5/4885DRD2 37/4885

“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.