Hydrochloric Acid

Hydrochloric Acid

SCHEMBL597394

CC(C)N(CC[C@H](c1ccccc1)c1cc(C(=O)O)ccc1OCc1ccccc1)C(C)C.Cl

nearest known ligand 0.55

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
CHRM2 known ✓ P08172 3/20 0.55
CHRM1 known ✓ P11229 3/20 0.55
CHRM5 known ✓ P08912 2/20 0.47
CHRM3 known ✓ P20309 2/20 0.47
HRH1 known ✓ P35367 2/20 0.47
ADRB2 known ✓ P07550 1/20 0.47
SIGMAR1 known ✓ Q99720 1/20 0.47
ESR1 known ✓ P03372 1/20 0.46
CHRM4 known ✓ P08173 1/20 0.46
PTGS1 known ✓ P23219 1/20 0.46
HRH2 known ✓ P25021 1/20 0.46
HTR2A known ✓ P28223 1/20 0.46
SLC6A4 known ✓ P31645 1/20 0.46
ADRA1A known ✓ P35348 1/20 0.46
OPRK1 known ✓ P41145 1/20 0.46
KCNQ1 known ✓ P51787 1/20 0.46
KCNH2 known ✓ Q12809 1/20 0.46
CACNA1C known ✓ Q13936 1/20 0.46
SCN5A known ✓ Q14524 1/20 0.46
KCND3 known ✓ Q9UK17 1/20 0.46

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
Hydrochloric Acid SCHEMBL597393 1.00 CHRM2 (0.55) CHRM2CHRM1CHRM5CHRM3HRH1
SCHEMBL723428 0.99 CHRM2 (0.56) CHRM2CHRM1CHRM5CHRM3HRH1
SCHEMBL1783715 0.99 CHRM2 (0.56) CHRM2CHRM1CHRM5CHRM3HRH1
SCHEMBL27773494 0.92 CHRM2 (0.48) CHRM2CHRM1CHRM5CHRM3HRH1
SCHEMBL27556305 0.92 CHRM2 (0.48) CHRM2CHRM1CHRM5CHRM3HRH1
SCHEMBL5179164 0.92 CHRM2 (0.55) CHRM2CHRM1CHRM5CHRM3HRH1
SCHEMBL5179157 0.92 CHRM2 (0.55) CHRM2CHRM1CHRM5CHRM3HRH1
SCHEMBL1354912 0.90 CHRM2 (0.53) CHRM2CHRM1CHRM5CHRM3HRH1
SCHEMBL1354913 0.90 CHRM2 (0.53) CHRM2CHRM1CHRM5CHRM3HRH1
SCHEMBL2599542 0.89 CHRM2 (0.47) CHRM2CHRM1CHRM5CHRM3HRH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9012678-B2 Processes for the preparation of fesoterodine CADILA HEALTHCARE LIMITED (IN) 2015-04-21 US claimed
US-20130197260-A1 PROCESSES FOR THE PREPARATION OF FESOTERODINE CADILA HEALTHCARE LIMITED (IN) 2013-08-01 US claimed
US-20100217034-A1 Process for the Preparation of Fesoterodine ACTAVIS GROUP PTC EHF (IS) 2010-08-26 US claimed
WO-2009037569-A2 AN IMPROVED PROCESS FOR THE PREPARATION OF FESOTERODINE ACTAVIS GROUP PTC EHF (IS) 2009-03-26 WO claimed
US-9012678-B2 Processes for the preparation of fesoterodine CADILA HEALTHCARE LIMITED (IN) 2015-04-21 US disclosed
EP-1940774-B1 NEW SYNTHESIS OF SUBSTITUTED HYDROXYMETHYL PHENOLS SCHWARZ PHARMA LTD (IE) 2014-03-05 EP disclosed
EP-2029523-B1 ACCELERATED SYNTHESIS OF SUBSTITUTED HYDROXYMETHYL PHENOLS SCHWARZ PHARMA LTD (IE) 2013-08-21 EP disclosed
EP-2032522-B1 SHORTENED SYNTHESIS USING PARAFORMALDEHYDE OR TRIOXANE SCHWARZ PHARMA LTD (IE) 2013-08-21 EP disclosed
US-20130197260-A1 PROCESSES FOR THE PREPARATION OF FESOTERODINE CADILA HEALTHCARE LIMITED (IN) 2013-08-01 US disclosed
US-8344176-B2 Synthesis of substituted hydroxymethyl phenols SCHWARZ PHARMA LTD. (IE) 2013-01-01 US disclosed
US-8299306-B2 Accelerated synthesis of substituted hydroxymethyl phenols UCB MANUFACTURING IRELAND LIMITED (IE) 2012-10-30 US disclosed
WO-2012098560-A2 PROCESS FOR THE PREPARATION OF MUSCARINIC RECEPTOR ANTAGONIST MSN LABORATORIES LIMITED (IN) 2012-07-26 WO disclosed
WO-2009044278-A1 AMORPHOUS FESOTERODINE FUMARATE ACTAVIS GROUP PTC EHF (IS) 2009-04-09 WO disclosed
WO-2009037569-A2 AN IMPROVED PROCESS FOR THE PREPARATION OF FESOTERODINE ACTAVIS GROUP PTC EHF (IS) 2009-03-26 WO disclosed
EP-2032522-A1 SHORTENED SYNTHESIS USING PARAFORMALDEHYDE OR TRIOXANE Schwarz Pharma Ltd. (IE) 2009-03-11 EP disclosed
EP-2029523-A1 ACCELERATED SYNTHESIS OF SUBSTITUTED HYDROXYMETHYL PHENOLS Schwarz Pharma Ltd. (IE) 2009-03-04 EP disclosed
WO-2007144091-A1 SHORTENED SYNTHESIS USING PARAFORMALDEHYDE OR TRIOXANE SCHWARZ PHARMA LTD. (IE) 2007-12-21 WO disclosed
WO-2007140965-A1 ACCELERATED SYNTHESIS OF SUBSTITUTED HYDROXYMETHYL PHENOLS SCHWARZ PHARMA LTD. (IE) 2007-12-13 WO disclosed
EP-1862449-A1 A shortened synthesis of substituted hydroxymethyl phenols Schwarz Pharma Ltd. (IE) 2007-12-05 EP disclosed
US-6858650-B1 For therapy of urinary incontinence SCHWARZ PHARMA AG (DE) 2005-02-22 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-20130197260-A1 PROCESSES FOR THE PREPARATION OF FESOTERODINE QDPR, FES, SULT1A1 CHRM2 211/4885CHRM1 165/4885CHRM5 219/4885
US-20100217034-A1 Process for the Preparation of Fesoterodine ADRB3, FES, QDPR CHRM2 107/4885CHRM1 279/4885CHRM5 111/4885

“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.