Hydrochloric Acid

Hydrochloric Acid

SCHEMBL4888934

Cl.O=C1Cc2cc(CCN3CCN(c4nsc5ccccc45)CC3)cc(F)c2N1

nearest known ligand 0.73

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
KCNH2 known ✓ Q12809 2/20 0.61
HTR2A known ✓ P28223 8/20 0.61
DRD2 known ✓ P14416 6/20 0.61
HTR1A known ✓ P08908 3/20 0.61
HTR7 known ✓ P34969 3/20 0.61
HTR3E known ✓ A5X5Y0 1/20 0.61
HTR3B known ✓ O95264 1/20 0.61
CHRM2 known ✓ P08172 1/20 0.61
ADRA2A known ✓ P08913 1/20 0.61
CHRM1 known ✓ P11229 1/20 0.61
ADRA2B known ✓ P18089 1/20 0.61
ADRA2C known ✓ P18825 1/20 0.61
DRD1 known ✓ P21728 1/20 0.61
DRD4 known ✓ P21917 1/20 0.61
SLC6A2 known ✓ P23975 1/20 0.61
HRH2 known ✓ P25021 1/20 0.61
ADRA1D known ✓ P25100 1/20 0.61
HTR2C known ✓ P28335 1/20 0.61
SLC6A4 known ✓ P31645 1/20 0.61
ADRA1A known ✓ P35348 1/20 0.61

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
Water SCHEMBL7414068 0.93 KCNH2 (0.57) KCNH2MTORRAB9AHTR2ADRD2
Hydrochloric Acid SCHEMBL7099059 0.85 KCNH2 (0.73) KCNH2MTORRAB9AHTR2ADRD2
SCHEMBL4885467 0.84 HTR1A (0.74) KCNH2MTORRAB9AHTR2ADRD2
Hydrochloric Acid SCHEMBL9830440 0.81 KCNH2 (0.81) KCNH2MTORRAB9AHTR2ADRD2
SCHEMBL13285208 0.81 HTR2A (0.80) KCNH2MTORRAB9AHTR2ADRD2
Water SCHEMBL4894354 0.80 KCNH2 (0.46) KCNH2MTORRAB9AHTR2ADRD2
Hydrochloric Acid SCHEMBL4889007 0.80 HTR1A (0.71) HTR2ADRD2HTR1AHTR7DRD1
Water SCHEMBL7416199 0.79 KCNH2 (0.67) KCNH2MTORRAB9AHTR2ADRD2
SCHEMBL7888916 0.78 HTR2A (0.70) KCNH2MTORRAB9AHTR2ADRD2
Hydrochloric Acid SCHEMBL9367191 0.78 HTR2A (0.67) KCNH2MTORRAB9AHTR2ADRD2

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.

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-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-0985414-A2 Method of treating glaucoma and ischemic retinopathy Pfizer Products Inc. (US) 2000-03-15 EP 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 KCNH2 1513/4885HTR2A 232/4885DRD2 355/4885
US-20050038036-A1 Stabilization patient; antidepressant; psychological disorders; mood cycles MC2R, NR3C1, CRH KCNH2 1329/4885HTR2A 295/4885DRD2 199/4885
US-20020004504-A1 METHOD OF TREATING GLAUCOMA AND ISCHEMIC RETINOPATHY ALDH1A2, NDUFB7, PTGS1 KCNH2 1606/4885HTR2A 2202/4885DRD2 3644/4885
US-20050014764-A1 Method for enhancing cognition using ziprasidone DBH, RAP1A, GABRR1 KCNH2 2811/4885HTR2A 80/4885DRD2 130/4885
US-20080269246-A1 METHOD FOR TREATING PEDIATRIC BIPOLAR DISORDER GABBR1, GABRR1, GABBR2 KCNH2 2492/4885HTR2A 179/4885DRD2 145/4885
US-20050004138-A1 Anxiety treatments with ziprasidone NPSR1, AVPR1B, SLC39A3 KCNH2 1381/4885HTR2A 188/4885DRD2 255/4885

“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.