Hydrochloric Acid

Hydrochloric Acid

SCHEMBL5746097

CC(C)c1cc(-c2ccc(F)c3ccccc23)nc(N)n1.Cl

nearest known ligand 0.97

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
HTR1B known ✓ P28222 1/20 0.97
HTR2B known ✓ P41595 1/20 0.97
HSP90AA1 known ✓ P07900 6/20 0.38
HSP90AB1 known ✓ P08238 4/20 0.38
MAPK14 known ✓ Q16539 1/20 0.34
HRH3 known ✓ Q9Y5N1 1/20 0.34
EGFR known ✓ P00533 1/20 0.33
MET known ✓ P08581 1/20 0.33
GPR65 Q8IYL9 1/20 0.97
AURKA O14965 1/20 0.43
PDPK1 O15530 1/20 0.43
TGFBR1 P36897 1/20 0.43
AURKB Q96GD4 1/20 0.43
CDK1 P06493 1/20 0.41
CDK2 P24941 1/20 0.41
FEN1 P39748 3/20 0.36
ALOX5AP P20292 2/20 0.36
ADORA2A P29274 2/20 0.35
ADORA1 P30542 1/20 0.33
CYP1A2 P05177 1/20 0.33

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
SCHEMBL29385708 0.99 HTR1B (1.00) HTR1BHTR2BGPR65AURKAPDPK1
SCHEMBL375979 0.99 HTR1B (1.00) HTR1BHTR2BGPR65AURKAPDPK1
SCHEMBL29391421 0.99 HTR1B (1.00) HTR1BHTR2BGPR65AURKAPDPK1
SCHEMBL8469545 0.97 HTR1B (0.97) HTR1BHTR2BGPR65AURKAPDPK1
SCHEMBL5749142 0.90 HTR1B (0.84) HTR1BHTR2BGPR65AURKAPDPK1
Fumaric Acid SCHEMBL5773986 0.88 HTR1B (0.80) HTR1BHTR2BGPR65AURKAPDPK1
Maleic Acid SCHEMBL5773984 0.88 HTR1B (0.80) HTR1BHTR2BGPR65AURKAPDPK1
Hydrochloric Acid SCHEMBL5748497 0.87 HTR1B (0.74) HTR1BHTR2BGPR65AURKAPDPK1
SCHEMBL5749044 0.86 HTR1B (0.78) HTR1BHTR2BGPR65AURKAPDPK1
SCHEMBL5749623 0.86 HTR1B (0.78) HTR1BHTR2BGPR65AURKAPDPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220193082-A1 COMBINATION TREATMENT OF SPECIFIC FORMS OF EPILEPSY ZOGENIX INTERNATIONAL LIMITED (GB) 2022-06-23 US claimed
US-20180325909-A1 COMBINATION TREATMENT OF SPECIFIC FORMS OF EPILEPSY ZOGENIX INTERNATIONAL LIMITED (GB) 2018-11-15 US claimed
US-20170071949-A1 COMBINATION TREATMENT OF SPECIFIC FORMS OF EPILEPSY ZOGENIX INTERNATIONAL LIMITED (GB) 2017-03-16 US claimed
US-20240245693-A1 COMPOSITIONS AND METHODS OF TISSUE REGENERATION THERAPY THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2024-07-25 US disclosed
EP-4340940-A1 COMPOSITIONS AND METHODS OF TISSUE REGENERATION THERAPY The Regents of University of California (US) 2024-03-27 EP disclosed
US-20220193082-A1 COMBINATION TREATMENT OF SPECIFIC FORMS OF EPILEPSY ZOGENIX INTERNATIONAL LIMITED (GB) 2022-06-23 US disclosed
US-20180325909-A1 COMBINATION TREATMENT OF SPECIFIC FORMS OF EPILEPSY ZOGENIX INTERNATIONAL LIMITED (GB) 2018-11-15 US disclosed
US-20170071949-A1 COMBINATION TREATMENT OF SPECIFIC FORMS OF EPILEPSY ZOGENIX INTERNATIONAL LIMITED (GB) 2017-03-16 US disclosed
EP-0901474-B1 ARYL PYRIMIDINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2006-04-19 EP disclosed
EP-1321169-A1 Combination of a serotonin receptor antagonist with a histidine decarboxylase inhibitor as a medicament Biofrontera Pharmaceuticals AG (DE) 2003-06-25 EP disclosed
CN-1109675-C Aryl pyrimidine derivatives HOFFMANN LA ROCHE (CH) 2003-05-28 CN disclosed
US-5958934-A 5-HT 2B ANTAGONIST SYNTEX (U.S.A.) INC. (US) 1999-09-28 US disclosed
US-5952331-A SELECTIVE 5HT2B ANTAGONISTS; SEROTONIN RECEPTOR ANTAGONIST; TREATING DISORDERS OF THE GASTROINTESTINAL TRACK, RESTENOSIS, ASTHMA AND OBSTRUCTIVE AIRWAY DISEASE, PROSTATIC HYPERPLASIA, GENERALIZED ANXIETY, PANIC DISORDER SYNTEX (USA) INC. (US) 1999-09-14 US disclosed
CN-1223641-A Aryl pyrimidine derivatives HOFFMANN LA ROCHE (CH) 1999-07-21 CN disclosed
EP-0901474-A1 ARYL PYRIMIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 1999-03-17 EP disclosed
US-5863924-A Aryl pyrimidine derivatives SYNTEX (U.S.A.) INC. (US) 1999-01-26 US disclosed
WO-1997044326-A1 ARYL PYRIMIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 1997-11-27 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 (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-20220193082-A1 COMBINATION TREATMENT OF SPECIFIC FORMS OF EPILEPSY HTR2B, HTR3B, HTR5A HTR1B 4/4885HTR2B 1/4885HSP90AA1 4366/4885
US-20180325909-A1 COMBINATION TREATMENT OF SPECIFIC FORMS OF EPILEPSY HTR2B, HTR3B, HTR5A HTR1B 4/4885HTR2B 1/4885HSP90AA1 4366/4885
US-20240245693-A1 COMPOSITIONS AND METHODS OF TISSUE REGENERATION THERAPY ADORA2B, ADORA2A, ANXA3 HTR1B 873/4885HTR2B 276/4885HSP90AA1 2307/4885
US-20170071949-A1 COMBINATION TREATMENT OF SPECIFIC FORMS OF EPILEPSY HTR2B, HTR3B, HTR5A HTR1B 4/4885HTR2B 1/4885HSP90AA1 4366/4885

“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.