Hydrochloric Acid

Hydrochloric Acid

SCHEMBL5516070

Cl.Clc1ccc(-c2cc3c4c(c2)[C@@H]2CNCC[C@@H]2N4CCN3)c(Cl)c1

nearest known ligand 0.48

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 6)

geneUniProtsupporting neighboursconfidence
HTR2C known ✓ P28335 14/20 0.48
HTR2A known ✓ P28223 8/20 0.41
HTR2B known ✓ P41595 6/20 0.41
MAPK1 P28482 1/20 0.33
KMT2A Q03164 1/20 0.33
AHR P35869 1/20 0.32

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
Hydrochloric Acid SCHEMBL5515385 0.94 HTR2C (0.52) HTR2CHTR2AHTR2BMAPK1KMT2A
SCHEMBL29301902 0.93 HTR2C (0.52) HTR2CHTR2AHTR2BMAPK1KMT2A
SCHEMBL6785141 0.86 HTR2C (0.47) HTR2CHTR2AHTR2BMAPK1KMT2A
SCHEMBL6489576 0.86 HTR2C (0.47) HTR2CHTR2AHTR2BMAPK1KMT2A
Hydrochloric Acid SCHEMBL5511800 0.85 HTR2C (0.45) HTR2CHTR2AHTR2BMAPK1KMT2A
SCHEMBL6492393 0.84 HTR2C (0.48) HTR2CHTR2AHTR2B
SCHEMBL6492389 0.84 HTR2C (0.48) HTR2CHTR2AHTR2B
SCHEMBL5408717 0.83 HTR2C (0.53) HTR2CHTR2AHTR2BMAPK1KMT2A
SCHEMBL5408713 0.83 HTR2C (0.53) HTR2CHTR2AHTR2BMAPK1KMT2A
Hydrochloric Acid SCHEMBL5637637 0.83 HTR2C (0.67) HTR2CHTR2AHTR2BMAPK1KMT2A

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-7071186-B2 Substituted heterocycle fused gamma-carbolines BRISTOL-MYERS SQUIBB PHARMA CO. (US) 2006-07-04 US claimed
US-20040220178-A1 Substituted heterocycle fused gamma-carbolines BRISTOL-MYERS SQUIBB PHARMA COMPANY 2004-11-04 US claimed
US-20040034015-A1 Substituted heterocycle fused gamma-carbolines ROBICHAUD ALBERT J (US) 2004-02-19 US claimed
US-6552017-B1 As serotonin agonists and antagonists and are useful in the control or prophylaxis of central nervous system disorders including obesity, anxiety, depression, psychosis, schizophrenia, sleep disorders, sexual disorders, migraine BRISTOL-MYERS SQUIBB PHARMA COMPANY 2003-04-22 US claimed
US-RE39680-E1 Substituted heterocycle fused gamma-carbolines BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2007-06-05 US disclosed
US-7183282-B2 Substituted heterocycle fused γ-carbolines BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2007-02-27 US disclosed
US-20060148808-A1 Substituted heterocycle fused gamma-carbolines BRISTOL-MYERS SQUIBB PHARMA COMPANY 2006-07-06 US disclosed
US-7071186-B2 Substituted heterocycle fused gamma-carbolines BRISTOL-MYERS SQUIBB PHARMA CO. (US) 2006-07-04 US disclosed
US-20040220178-A1 Substituted heterocycle fused gamma-carbolines BRISTOL-MYERS SQUIBB PHARMA COMPANY 2004-11-04 US disclosed
EP-1189904-B1 SUBSTITUTED HETEROCYCLE FUSED GAMMA-CARBOLINES BRISTOL MYERS SQUIBB PHARMA CO (US) 2004-09-22 EP disclosed
US-20040034015-A1 Substituted heterocycle fused gamma-carbolines ROBICHAUD ALBERT J (US) 2004-02-19 US disclosed
US-6552017-B1 As serotonin agonists and antagonists and are useful in the control or prophylaxis of central nervous system disorders including obesity, anxiety, depression, psychosis, schizophrenia, sleep disorders, sexual disorders, migraine BRISTOL-MYERS SQUIBB PHARMA COMPANY 2003-04-22 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.

PatentTitleText reads most aboutPredicted target · text-rank
US-20040034015-A1 Substituted heterocycle fused gamma-carbolines HCRTR1, HTR2C, OPRK1 HTR2C 2/4885HTR2A 30/4885HTR2B 8/4885
US-20060148808-A1 Substituted heterocycle fused gamma-carbolines HTR2B, HTR1B, HTR3B HTR2C 6/4885HTR2A 17/4885HTR2B 1/4885
US-20040220178-A1 Substituted heterocycle fused gamma-carbolines HCRTR1, HTR2C, OPRK1 HTR2C 2/4885HTR2A 30/4885HTR2B 8/4885

“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.