Hydrochloric Acid

Hydrochloric Acid

SCHEMBL2012929

CCCN(CCC)CCc1cccc([N+](=O)[O-])c1CC(=O)O.Cl

nearest known ligand 0.43

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
HTR1A known ✓ P08908 2/20 0.43
CHRM2 known ✓ P08172 1/20 0.38
ADRA2A known ✓ P08913 1/20 0.38
DRD2 known ✓ P14416 1/20 0.38
ADRA2B known ✓ P18089 1/20 0.38
DRD1 known ✓ P21728 1/20 0.38
DRD4 known ✓ P21917 1/20 0.38
HTR2A known ✓ P28223 1/20 0.38
ADRA1A known ✓ P35348 1/20 0.38
HRH1 known ✓ P35367 1/20 0.38
OPRM1 known ✓ P35372 1/20 0.38
DRD3 known ✓ P35462 1/20 0.38
OPRK1 known ✓ P41145 1/20 0.38
HTR2B known ✓ P41595 1/20 0.38
KCNH2 known ✓ Q12809 1/20 0.38
HRH3 known ✓ Q9Y5N1 1/20 0.38
BCHE known ✓ P06276 1/20 0.38
ACHE known ✓ P22303 1/20 0.38
APEX1 P27695 1/20 0.40
BLM P54132 1/20 0.40

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
SCHEMBL2011929 0.99 HTR1A (0.44) HTR1AAPEX1BLMALDH1A1HCAR3
SCHEMBL13618631 0.91 HTR1A (0.43) HTR1AAPEX1BLMALDH1A1HCAR3
SCHEMBL13623334 0.89 HTR1A (0.43) HTR1AAPEX1BLMALDH1A1HCAR3
SCHEMBL2011768 0.85 DRD2 (0.43) HTR1AALDH1A1MEN1KMT2AKDM4E
SCHEMBL13930337 0.81 ALDH1A1 (0.51) HTR1AAPEX1BLMALDH1A1KDM4E
SCHEMBL8172704 0.81 FBP1 (0.49) ALDH1A1MEN1KMT2ACYP2C19CYP1A2
Hydrochloric Acid SCHEMBL2012002 0.80 TDP1 (0.50) HTR1AAPEX1BLMALDH1A1KMT2A
SCHEMBL4739129 0.79 HTR1A (0.48) HTR1AAPEX1BLMKDM4ELMNA
SCHEMBL7292776 0.79 HTR1A (0.46) HTR1AAPEX1BLMALDH1A1KDM4E
SCHEMBL3841214 0.79 TDP1 (0.51) HTR1AAPEX1BLMALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2513055-A1 PROCESS FOR THE PREPARATION OF ROPINIROLE AND SALTS THEREOF Pharmathen S.A. (GR) 2012-10-24 EP claimed
US-20120253051-A1 PROCESS FOR THE PREPARATION OF ROPINIROLE AND SALTS THEREOF PHARMATHEN S.A. (GR) 2012-10-04 US claimed
WO-2011072704-A1 PROCESS FOR THE PREPARATION OF ROPINIROLE AND SALTS THEREOF PHARMATHEN S.A. (GR) 2011-06-23 WO claimed
US-7619095-B2 Process for the preparation of indolone derivative ALEMBIC LIMITED (IN) 2009-11-17 US claimed
EP-1848691-B1 PROCESS FOR THE PREPARATION OF INDOLONE DERIVATIVE ALEMBIC LTD (IN) 2009-11-11 EP claimed
US-20080262244-A1 Process for the Preparation of Indolone Derivative ALEMBIC LIMITED (IN) 2008-10-23 US claimed
EP-1848691-A1 PROCESS FOR THE PREPARATION OF INDOLONE DERIVATIVE Alembic Limited (IN) 2007-10-31 EP claimed
WO-2006123356-A1 PROCESS FOR THE PREPARATION OF INDOLONE DERIVATIVE ALEMBIC LIMITED (IN) 2006-11-23 WO claimed
CN-116262706-A Preparation process of ropinirole intermediate 浙江华海药业股份有限公司 2023-06-16 CN disclosed
EP-2513055-A1 PROCESS FOR THE PREPARATION OF ROPINIROLE AND SALTS THEREOF Pharmathen S.A. (GR) 2012-10-24 EP disclosed
US-20120253051-A1 PROCESS FOR THE PREPARATION OF ROPINIROLE AND SALTS THEREOF PHARMATHEN S.A. (GR) 2012-10-04 US disclosed
US-7968731-B2 Process for the purification of Ropinirole hydrochloride ALEMBIC LIMITED (IN) 2011-06-28 US disclosed
WO-2011072704-A1 PROCESS FOR THE PREPARATION OF ROPINIROLE AND SALTS THEREOF PHARMATHEN S.A. (GR) 2011-06-23 WO disclosed
US-7863462-B2 Process for the purification of ropinirole hydrochloride ALEMBIC LIMITED (IN) 2011-01-04 US disclosed
WO-2007010557-A2 PROCESS FOR THE PREPARATION OF HIGHLY PURE ROPINIROLE IND-SWIFT LABORATORIE LIMTED (IN) 2007-01-25 WO disclosed
WO-2006123356-A1 PROCESS FOR THE PREPARATION OF INDOLONE DERIVATIVE ALEMBIC LIMITED (IN) 2006-11-23 WO disclosed
EP-0113964-B1 4-AMINOALKYL-2(3H)-INDOLONES SMITHKLINE BECKMAN CORPORATION (US) 1986-10-22 EP disclosed
US-4588740-A Pharmaceutical methods using 4-aminoalkyl-2(3H)-indolones SMITHKLINE BECKMAN CORPORATION (US) 1986-05-13 US disclosed
EP-0113964-A1 4-Aminoalkyl-2(3H)-indolones SMITHKLINE BECKMAN CORPORATION (US) 1984-07-25 EP disclosed
US-4452808-A HYPOTENSIVE AGENTS SMITHKLINE BECKMAN CORPORATION (US) 1984-06-05 US 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-20080262244-A1 Process for the Preparation of Indolone Derivative HTR3C, HTR3B, HTR1B HTR1A 16/4885CHRM2 695/4885ADRA2A 430/4885
US-20120253051-A1 PROCESS FOR THE PREPARATION OF ROPINIROLE AND SALTS THEREOF PRLHR, ADCYAP1R1, REN HTR1A 792/4885CHRM2 2358/4885ADRA2A 353/4885

“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.