Hydrochloric Acid

Hydrochloric Acid

SCHEMBL5776419

Cl.c1ccc2c3c([nH]c2c1)CCCC3

nearest known ligand 0.71

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 15)

geneUniProtsupporting neighboursconfidence
HTR2A known ✓ P28223 1/20 0.65
HTR2C known ✓ P28335 1/20 0.65
PARP1 known ✓ P09874 1/20 0.59
HTR5A known ✓ P47898 1/20 0.58
CHRNA7 known ✓ P36544 1/20 0.53
KDM4E B2RXH2 3/20 0.71
ALDH1A1 P00352 1/20 0.71
SMN1; SMN2 Q16637 1/20 0.69
TAAR1 Q96RJ0 1/20 0.61
NR2E1 Q9Y466 2/20 0.58
NISCH Q9Y2I1 1/20 0.58
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
HSD17B10 Q99714 1/20 0.53
MAPT P10636 1/20 0.51

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
SCHEMBL104598 0.98 KDM4E (0.73) KDM4EALDH1A1SMN1; SMN2HTR2AHTR2C
SCHEMBL30160092 0.98 KDM4E (0.73) KDM4EALDH1A1SMN1; SMN2HTR2AHTR2C
Bromide SCHEMBL8568783 0.96 KDM4E (0.71) KDM4EALDH1A1SMN1; SMN2HTR2AHTR2C
SCHEMBL14156164 0.96 SMN1; SMN2 (0.74) KDM4EALDH1A1SMN1; SMN2HTR2AHTR2C
Ammonia Solution, Strong SCHEMBL28165982 0.96 KDM4E (0.71) KDM4EALDH1A1SMN1; SMN2HTR2AHTR2C
Iodide SCHEMBL8569085 0.96 KDM4E (0.71) KDM4EALDH1A1SMN1; SMN2HTR2AHTR2C
SCHEMBL15266076 0.96 KDM4E (0.71) KDM4EALDH1A1SMN1; SMN2HTR2AHTR2C
SCHEMBL11641810 0.96 SMN1; SMN2 (0.74) KDM4EALDH1A1SMN1; SMN2HTR2AHTR2C
SCHEMBL7402531 0.96 KDM4E (0.71) KDM4EALDH1A1SMN1; SMN2HTR2AHTR2C
SCHEMBL30657796 0.96 SMN1; SMN2 (0.74) KDM4EALDH1A1SMN1; SMN2HTR2AHTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1693366-A1 Selective 5-HT 6 receptor ligands VIRGINIA COMMONWEALTH UNIVERSITY (US) 2006-08-23 EP disclosed
US-20040132800-A1 N-(2-arylethyl) benzylamines as antagonists of the 5-ht6 receptor CHEN ZHAOGEN (US) 2004-07-08 US disclosed
US-6518297-B2 Serotonin (5-HT) subtype 6 receptor (5-HT6); 3-(2-aminoethyl)indole derivatives; drug screening VIRGINIA COMMONWEALTH UNIVERSITY 2003-02-11 US disclosed
EP-1149078-A4 SELECTIVE 5-HT 6? RECEPTOR LIGANDS UNIV VIRGINIA COMMONWEALTH (US) 2003-01-29 EP disclosed
US-6489488-B2 SEROTONIN (5-HT) SUBTYPE 6 RECEPTOR (5-HT6); 3-(2-AMINOETHYL)INDOLE DERIVATIVES; DRUG SCREENING VIRGINIA COMMONWEALTH UNIVERSITY 2002-12-03 US disclosed
US-20020103382-A1 Selective 5-HT6 receptor ligands GLENNON RICHARD A (US) 2002-08-01 US disclosed
US-20020103383-A1 Selective 5-HT6 receptor ligands GLENNON RICHARD A (US) 2002-08-01 US disclosed
US-6403808-B1 TREATING MENTAL DISORDERS VIRGINIA COMMONWEALTH UNIVERSITY 2002-06-11 US disclosed
EP-1149078-A1 SELECTIVE 5-HT 6? RECEPTOR LIGANDS VIRGINIA COMMONWEALTH UNIVERSITY (US) 2001-10-31 EP disclosed
WO-2000034242-A1 SELECTIVE 5-HT6 RECEPTOR LIGANDS VIRGINIA COMMONWEALTH UNIVERSITY (US) 2000-06-15 WO disclosed
WO-1998055115-A1 CARBOXAMIDES USEFUL AS 5-HT1F AGONISTS ELI LILLY AND COMPANY (US) 1998-12-10 WO disclosed
WO-1998011895-A1 A METHOD FOR THE PREVENTION OF MIGRAINE ELI LILLY AND COMPANY (US) 1998-03-26 WO disclosed
WO-1998006402-A1 TREATMENT OF THE COMMON COLD OR ALLERGIC RHINITIS ELI LILLY AND COMPANY (US) 1998-02-19 WO disclosed
EP-0674621-A1 ENANTIOMERS OF CARBAZOLE DERIVATIVES AS 5-HT1-LIKE AGONISTS SMITHKLINE BEECHAM PLC (GB) 1995-10-04 EP disclosed
WO-1994014772-A1 ENANTIOMERS OF CARBAZOLE DERIVATIVES AS 5-HT1-LIKE AGONISTS SMITHKLINE BEECHAM PLC (GB) 1994-07-07 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 (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-20020103382-A1 Selective 5-HT6 receptor ligands HTR6, HTR4, HTR5A HTR2A 7/4885HTR2C 8/4885PARP1 4333/4885
US-20040132800-A1 N-(2-arylethyl) benzylamines as antagonists of the 5-ht6 receptor HTR6, HTR1B, HTR1A HTR2A 5/4885HTR2C 4/4885PARP1 1945/4885
US-20020103383-A1 Selective 5-HT6 receptor ligands HTR6, HTR4, HTR5A HTR2A 7/4885HTR2C 8/4885PARP1 4333/4885

“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.