Hydrochloric Acid

Hydrochloric Acid

SCHEMBL5165745

Cc1c[nH]c(=O)n(CCCN2CCN(c3ccccc3OCC(F)(F)F)CC2)c1=O.Cl

nearest known ligand 0.98

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 6)

geneUniProtsupporting neighboursconfidence
ADRA1A known ✓ P35348 20/20 0.98
ADRA1B known ✓ P35368 20/20 0.98
ADRA1D known ✓ P25100 17/20 0.98
CYP3A4 P08684 1/20 0.98
CYP2C9 P11712 1/20 0.98
CYP2C19 P33261 1/20 0.98

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
SCHEMBL6802383 0.99 ADRA1A (1.00) ADRA1AADRA1BADRA1DCYP3A4CYP2C9
SCHEMBL7822496 0.90 ADRA1A (1.00) ADRA1AADRA1BADRA1DCYP3A4CYP2C9
SCHEMBL29468652 0.90 ADRA1A (1.00) ADRA1AADRA1BADRA1DCYP3A4CYP2C9
Hydrochloric Acid SCHEMBL7833998 0.90 ADRA1A (0.81) ADRA1AADRA1BADRA1DCYP3A4CYP2C9
Hydrochloric Acid SCHEMBL7848291 0.90 ADRA1A (0.98) ADRA1AADRA1BADRA1DCYP3A4CYP2C9
Hydrochloric Acid SCHEMBL7821789 0.88 ADRA1A (0.81) ADRA1AADRA1BADRA1DCYP3A4CYP2C9
Bromide SCHEMBL7834162 0.88 ADRA1A (0.83) ADRA1AADRA1BADRA1DCYP3A4CYP2C9
Hydrochloric Acid SCHEMBL7833785 0.88 ADRA1A (0.76) ADRA1AADRA1BADRA1DCYP3A4CYP2C9
Hydrochloric Acid SCHEMBL7830482 0.86 ADRA1A (0.74) ADRA1AADRA1BADRA1DCYP3A4CYP2C9
SCHEMBL7836830 0.85 ADRA1A (0.75) ADRA1AADRA1BADRA1DCYP3A4CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2007509896-A 2007-04-19 JP claimed
EP-1682183-A2 PHARMACEUTICAL COMPOSITION, CONTAINING A BETA-3-ADRENOCEPTOR AGONIST AND AN ALPHA ANTAGONIST AND/OR A 5-ALPHA-REDUCTASE INHIBITOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-07-26 EP claimed
US-20050101607-A1 Pharmaceutical composition containing a beta-3-adrenoceptor agonist and an alpha antagonist and/or a 5-alpha reductase inhibitor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-05-12 US claimed
WO-2005042021-A2 PHARMACEUTICAL COMPOSITION, CONTAINING A BETA-3-ADRENOCEPTOR AGONIST AND AN ALPHA ANTAGONIST AND/OR A 5-ALPHA-REDUCTASE INHIBITOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-05-12 WO claimed
EP-0748800-B1 Pyrimidinedione, pyrimidinetrione, triazinedione derivatives as alpha-1-adrenergic receptor antagonists HOFFMANN LA ROCHE (CH) 2001-05-09 EP claimed
EP-0748800-A2 Pyrimidinedione, pyrimidinetrione, triazinedione, tetrahydroquinazolinedione derivatives as alpha-1-adrenergic receptor antagonists F. HOFFMANN-LA ROCHE AG (CH) 1996-12-18 EP claimed
WO-2023129857-A1 METHODS OF TREATING, AMELIORATING, AND/OR PREVENTING STRESS-RELATED DISORDER YALE UNIVERSITY (US) 2023-07-06 WO disclosed
EP-1804778-A1 USE OF A BETA-3 AGONIST FOR TREATING COMPLAINTS OF THE PROSTATE AND THE LOWER UROGENITAL TRACT Boehringer Ingelheim International GmbH (DE) 2007-07-11 EP disclosed
WO-2007036543-A1 BETA-3-AGONIST USE FOR TREATING KIDNEY AND BLADDER TROUBLES OF A PATIENT WITH SPINAL CORD DAMAGES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-04-05 WO disclosed
US-20070078181-A1 Use of a beta-3-agonist for the treatment of patients with spinal cord injury and suffering from renal and bladder complaints MICHEL MARTIN C 2007-04-05 US disclosed
EP-1769792-A1 Use of a beta-3 adrenoceptor agonist for the treatment of renal and bladder problems Boehringer Ingelheim Pharma GmbH & Co.KG (DE) 2007-04-04 EP disclosed
EP-1682183-A2 PHARMACEUTICAL COMPOSITION, CONTAINING A BETA-3-ADRENOCEPTOR AGONIST AND AN ALPHA ANTAGONIST AND/OR A 5-ALPHA-REDUCTASE INHIBITOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-07-26 EP disclosed
WO-2006042679-A1 USE OF A BETA-3 AGONIST FOR TREATING COMPLAINTS OF THE PROSTATE AND THE LOWER UROGENITAL TRACT BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-04-27 WO disclosed
US-20060084700-A1 Use of a beta-3 agonist for the treatment of disorders of the prostate and of the lower urogenital tract BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-04-20 US disclosed
US-20050101607-A1 Pharmaceutical composition containing a beta-3-adrenoceptor agonist and an alpha antagonist and/or a 5-alpha reductase inhibitor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-05-12 US disclosed
WO-2005042021-A2 PHARMACEUTICAL COMPOSITION, CONTAINING A BETA-3-ADRENOCEPTOR AGONIST AND AN ALPHA ANTAGONIST AND/OR A 5-ALPHA-REDUCTASE INHIBITOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-05-12 WO disclosed
US-20040072851-A1 Medicinal compositions for treating lower uropathy ASTELLAS PHARMA INC. (JP) 2004-04-15 US disclosed
EP-0748800-B1 Pyrimidinedione, pyrimidinetrione, triazinedione derivatives as alpha-1-adrenergic receptor antagonists HOFFMANN LA ROCHE (CH) 2001-05-09 EP disclosed
EP-0748800-A2 Pyrimidinedione, pyrimidinetrione, triazinedione, tetrahydroquinazolinedione derivatives as alpha-1-adrenergic receptor antagonists F. HOFFMANN-LA ROCHE AG (CH) 1996-12-18 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 (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-20050101607-A1 Pharmaceutical composition containing a beta-3-adrenoceptor agonist and an alpha antagonist and/or a 5-alpha reductase inhibitor ADRB1, ADRB3, ADRB2 ADRA1A 6/4885ADRA1B 4/4885ADRA1D 7/4885
US-20060084700-A1 Use of a beta-3 agonist for the treatment of disorders of the prostate and of the lower urogenital tract ADRB3, ADRB2, ADRB1 ADRA1A 9/4885ADRA1B 6/4885ADRA1D 10/4885
US-20070078181-A1 Use of a beta-3-agonist for the treatment of patients with spinal cord injury and suffering from renal and bladder complaints ADRB3, ADRB2, ADRB1 ADRA1A 9/4885ADRA1B 8/4885ADRA1D 11/4885

“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.