Hydrochloric Acid

Hydrochloric Acid

SCHEMBL6664631

C=Cc1sc2ccc(Cl)c3c2c1CN(C)CC3.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 15)

geneUniProtsupporting neighboursconfidence
ADRA2A known ✓ P08913 6/20 0.97
ADRA2B known ✓ P18089 6/20 0.97
ADRA2C known ✓ P18825 6/20 0.97
ADRA1D known ✓ P25100 6/20 0.97
ADRA1A known ✓ P35348 6/20 0.97
ADRA1B known ✓ P35368 6/20 0.97
HTR1A known ✓ P08908 1/20 0.31
HTR1B known ✓ P28222 1/20 0.31
MAOA known ✓ P21397 1/20 0.30
MAOB known ✓ P27338 1/20 0.30
NPSR1 Q6W5P4 1/20 0.38
CYP2D6 P10635 1/20 0.36
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
MKNK1 Q9BUB5 2/20 0.31

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
SCHEMBL9376352 0.99 ADRA2A (1.00) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL10480295 0.96 ADRA2A (0.95) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL6660860 0.86 ADRA2A (0.77) ADRA2AADRA2BADRA2CADRA1DADRA1A
Hydrochloric Acid SCHEMBL9375551 0.85 ADRA2A (0.72) ADRA2AADRA2BADRA2CADRA1DADRA1A
Hydrochloric Acid SCHEMBL9385077 0.84 ADRA2A (0.70) ADRA2AADRA2BADRA2CADRA1DADRA1A
Hydrochloric Acid SCHEMBL9385082 0.84 ADRA2A (0.70) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL9375576 0.84 ADRA2A (0.73) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL9769667 0.82 ADRA2A (0.72) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL9379441 0.82 ADRA2A (0.72) ADRA2AADRA2BADRA2CADRA1DADRA1A
Hydrochloric Acid SCHEMBL9381053 0.82 ADRA2A (0.69) ADRA2AADRA2BADRA2CADRA1DADRA1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0663014-B1 DNA ENCODING HUMAN ALPHA 1 ADRENERGIC RECEPTORS AND USES THEREOF SYNAPTIC PHARMA CORP (US) 2004-08-18 EP disclosed
US-6602888-B2 Binds to a human alpha 1C adrenergic receptor with a binding affinity greater than ten-fold higher than the binding affinity with which the compound binds to a human alpha 1A adrenergic receptor SYNAPTIC PHARMACEUTICAL CORPORATION 2003-08-05 US disclosed
US-20030113771-A1 DNA encoding human alpha 1 adrenergic receptors and uses thereof SYNAPTIC PHARMACEUTICAL CORPORATION 2003-06-19 US disclosed
US-20030113772-A1 DNA encoding human alpha 1 adrenergic receptors and uses thereof SYNAPTIC PHARMACEUTICAL CORPORATION 2003-06-19 US disclosed
US-20030022900-A1 Compositions comprising alpha-1C specific compounds SYNAPTIC PHARMACEUTICAL CORPORATION 2003-01-30 US disclosed
US-20020032219-A1 USE OF ALPHA-1C SPECIFIC COMPOUNDS TO TREAT BENIGN PROSTATIC HYPERPLASIA H. LUNDBECK A/S (DK) 2002-03-14 US disclosed
EP-1063291-A2 DNA encoding human alpha 1 adrenergic receptors and uses thereof Synaptic Pharmaceutical Corporation (US) 2000-12-27 EP disclosed
EP-1063292-A2 DNA encoding human alpha 1 adrenergic receptors and uses thereof Synaptic Pharmaceutical Corporation (US) 2000-12-27 EP disclosed
US-6156518-A Methods of using DNA encoding human alpha 1 adrenergic receptors SYNAPTIC PHARMACEUTICAL CORPORATION (US) 2000-12-05 US disclosed
US-6083705-A SCREENING FOR CHEMICAL COMPOUND WHICH PREFERENTIALLY BINDS TO BINDING PROTEIN; INCUBATION OF COMPOUND WITH CELLS EXPRESSING BINDING PROTEIN, DETECTING PREFERENTIAL BINDING OF COMPOUND TO SURFACE OF CELL NOT NORMALLY EXPRESSING BINDING PROTEIN SYNAPTIC PHARMACEUTICALS CORPORATION (US) 2000-07-04 US disclosed
US-5403847-A Administering a therapeutic amount of a compound which binds to a human alpha 1c adrenergic receptor; FDA Orange book listed patent for silodosin SYNAPTIC PHARMACEUTICAL CORPORATION (US) 1995-04-04 US disclosed
EP-0344979-B1 Alfa-adrenergic receptor antagonists SMITHKLINE BEECHAM CORP (US) 1994-11-09 EP disclosed
EP-0344981-B1 Alpha-adrenergic receptor antagonists SMITHKLINE BEECHAM CORP (US) 1994-08-03 EP disclosed
WO-1994010989-A1 USE OF ALPHA-1C SPECIFIC COMPOUNDS TO TREAT BENIGN PROSTATIC HYPERPLASIA SYNAPTIC PHARMACEUTICAL CORPORATION (US) 1994-05-26 WO disclosed
US-5006521-A α-adrenergic receptor antagonists and methods of use thereas SMITHKLINE BEECHAM CORPORATION (US) 1991-04-09 US disclosed
US-4963547-A HYPOTENSIVE AGENTS SMITHKLINE BEECHAM CORPORATION (US) 1990-10-16 US disclosed
WO-1989012054-A1 alpha-ADRENERGIC RECEPTOR ANTAGONISTS SMITHKLINE BECKMAN CORPORATION (US) 1989-12-14 WO disclosed
WO-1989012053-A1 alpha-ADRENERGIC RECEPTOR ANTAGONISTS SMITHKLINE BECKMAN CORPORATION (US) 1989-12-14 WO disclosed
EP-0344981-A2 Alpha-adrenergic receptor antagonists SMITHKLINE BEECHAM CORPORATION (US) 1989-12-06 EP disclosed
EP-0344979-A2 Alfa-adrenergic receptor antagonists SMITHKLINE BEECHAM CORPORATION (US) 1989-12-06 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 (2 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-20030022900-A1 Compositions comprising alpha-1C specific compounds ADRB1, ADRA1B, ADRA1A ADRA2A 9/4885ADRA2B 6/4885ADRA2C 8/4885
US-20020032219-A1 USE OF ALPHA-1C SPECIFIC COMPOUNDS TO TREAT BENIGN PROSTATIC HYPERPLASIA ADRB1, ADRA1B, ADRA1A ADRA2A 9/4885ADRA2B 5/4885ADRA2C 7/4885

“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.