Hydrochloric Acid

Hydrochloric Acid

SCHEMBL4881899

CC1(C)C(=O)Nc2ccc(CCN3CCN(c4nsc5ccccc45)CC3)cc21.CC1(C)C(=O)Nc2ccc(CCN3CCN(c4nsc5ccccc45)CC3)cc21.Cl.Cl.O

nearest known ligand 0.96

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
HTR1A known ✓ P08908 9/20 0.60
HTR7 known ✓ P34969 2/20 0.60
KCNH2 known ✓ Q12809 9/20 0.57
DRD2 known ✓ P14416 8/20 0.57
HTR2A known ✓ P28223 8/20 0.57
HTR3E known ✓ A5X5Y0 1/20 0.53
HTR3B known ✓ O95264 1/20 0.53
CHRM2 known ✓ P08172 1/20 0.53
ADRA2A known ✓ P08913 1/20 0.53
CHRM1 known ✓ P11229 1/20 0.53
ADRA2B known ✓ P18089 1/20 0.53
ADRA2C known ✓ P18825 1/20 0.53
DRD1 known ✓ P21728 1/20 0.53
DRD4 known ✓ P21917 1/20 0.53
SLC6A2 known ✓ P23975 1/20 0.53
HRH2 known ✓ P25021 1/20 0.53
ADRA1D known ✓ P25100 1/20 0.53
HTR2C known ✓ P28335 1/20 0.53
SLC6A4 known ✓ P31645 1/20 0.53
ADRA1A known ✓ P35348 1/20 0.53

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
SCHEMBL5767939 0.98 HTR1A (0.62) HTR1AHTR7KCNH2DRD2HTR2A
SCHEMBL6790516 0.89 HTR1A (0.60) HTR1AHTR7KCNH2DRD2HTR2A
Hydrochloric Acid SCHEMBL4891136 0.88 HTR1A (0.59) HTR1AHTR7KCNH2DRD2HTR2A
SCHEMBL5678980 0.86 HTR1A (0.61) HTR1AHTR7KCNH2DRD2HTR2A
SCHEMBL9367637 0.85 HTR1A (0.60) HTR1AHTR7KCNH2DRD2HTR2A
Hydrochloric Acid SCHEMBL4895367 0.85 HTR2A (0.57) HTR1AHTR7KCNH2DRD2HTR2A
SCHEMBL5738492 0.85 HTR1A (0.64) HTR1AHTR7KCNH2DRD2HTR2A
Hydrochloric Acid SCHEMBL4891010 0.85 HTR1A (0.59) HTR1AHTR7KCNH2DRD2HTR2A
SCHEMBL9367264 0.84 HTR1A (0.58) HTR1AHTR7KCNH2DRD2HTR2A
SCHEMBL6795599 0.84 HTR1A (0.54) HTR1AHTR7KCNH2DRD2HTR2A

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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080269246-A1 METHOD FOR TREATING PEDIATRIC BIPOLAR DISORDER PFIZER INC 2008-10-30 US disclosed
EP-1757292-A1 Method of treating ocd and tic disorders Pfizer Products Inc. (US) 2007-02-28 EP disclosed
EP-1633361-A1 ANXIETY TREATMENTS WITH ZIPRASIDONE Pfizer Products Inc. (US) 2006-03-15 EP disclosed
EP-1633360-A1 TREATMENT OF PSYCHOTIC AND DEPRESSIVE DISORDERS Pfizer Products Incorporated (US) 2006-03-15 EP disclosed
EP-1626722-A1 METHOD FOR ENHANCING COGNITION USING ZIPRASIDONE Pfizer Products Inc. (US) 2006-02-22 EP disclosed
EP-1626723-A1 TREATMENT OF BIPOLAR DISORDERS AND ASSOCIATED SYMPTOMS Pfizer Products Inc. (US) 2006-02-22 EP disclosed
US-20050038036-A1 Stabilization patient; antidepressant; psychological disorders; mood cycles PFIZER INC 2005-02-17 US disclosed
US-20050014764-A1 Method for enhancing cognition using ziprasidone PFIZER INC 2005-01-20 US disclosed
US-20050004138-A1 Anxiety treatments with ziprasidone PFIZER INC 2005-01-06 US disclosed
US-20050004137-A1 Treatment of psychotic and depressive disorders PFIZER INC 2005-01-06 US disclosed
US-6387904-B2 COMPOUND CONTAINING PIPERAZINE RING PFIZER INC 2002-05-14 US disclosed
US-20020004504-A1 METHOD OF TREATING GLAUCOMA AND ISCHEMIC RETINOPATHY HOWARD HARRY R (US) 2002-01-10 US disclosed
US-6245766-B1 USING A PIPERAZINE COMPOUND PFIZER INC 2001-06-12 US disclosed
US-6127373-A Method of treating tourette's syndrome and obsessive compulsive disorder PFIZER INC. (US) 2000-10-03 US disclosed
EP-0931547-A1 Piperazinyl-heterocyclic compounds in the treatment of psychiatric conditions Pfizer Products Inc. (US) 1999-07-28 EP disclosed
EP-0901789-A1 Method of treating tourette's syndrome Pfizer Products Inc. (US) 1999-03-17 EP disclosed
EP-0281309-B1 PIPERAZINYL-HETEROCYCLIC COMPOUNDS PFIZER INC. (US) 1991-12-27 EP disclosed
US-4883795-A Piperazinyl-heterocyclic compounds PFIZER INC. (US) 1989-11-28 US disclosed
US-4831031-A Aryl piperazinyl-(C2 or C4) alkylene heterocyclic compounds having neuroleptic activity PFIZER INC. (US) 1989-05-16 US disclosed
EP-0281309-A1 Piperazinyl-heterocyclic compounds PFIZER INC. (US) 1988-09-07 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 (6 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-20050004137-A1 Treatment of psychotic and depressive disorders SNCA, NLN, INA HTR1A 76/4885HTR7 238/4885KCNH2 1513/4885
US-20050038036-A1 Stabilization patient; antidepressant; psychological disorders; mood cycles MC2R, NR3C1, CRH HTR1A 79/4885HTR7 714/4885KCNH2 1329/4885
US-20020004504-A1 METHOD OF TREATING GLAUCOMA AND ISCHEMIC RETINOPATHY ALDH1A2, NDUFB7, PTGS1 HTR1A 1024/4885HTR7 1380/4885KCNH2 1606/4885
US-20050014764-A1 Method for enhancing cognition using ziprasidone DBH, RAP1A, GABRR1 HTR1A 50/4885HTR7 290/4885KCNH2 2811/4885
US-20080269246-A1 METHOD FOR TREATING PEDIATRIC BIPOLAR DISORDER GABBR1, GABRR1, GABBR2 HTR1A 80/4885HTR7 376/4885KCNH2 2492/4885
US-20050004138-A1 Anxiety treatments with ziprasidone NPSR1, AVPR1B, SLC39A3 HTR1A 126/4885HTR7 610/4885KCNH2 1381/4885

“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.