Hydrochloric Acid

Hydrochloric Acid

SCHEMBL3974708

C[C@H]1CCc2c(N3CCC(OC(=O)[C@@H](N)CC(=O)O)CC3)c(F)cc3c(=O)c(C(=O)O)cn1c23.Cl

nearest known ligand 0.69

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
HRH3 known ✓ Q9Y5N1 1/20 0.46
KCNH2 known ✓ Q12809 5/20 0.46
OPRM1 known ✓ P35372 2/20 0.42
CHRM2 known ✓ P08172 1/20 0.42
CHRM1 known ✓ P11229 1/20 0.42
OPRD1 known ✓ P41143 1/20 0.42
PRKD3 known ✓ O94806 1/20 0.42
LMNA P02545 1/20 0.69
AADAT Q8N5Z0 2/20 0.47
KDM4E B2RXH2 9/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
CYP1A2 P05177 1/20 0.47
ALDH1A1 P00352 5/20 0.46
HPGD P15428 4/20 0.46
HSD17B10 Q99714 4/20 0.46
ALB P02768 1/20 0.46
POLB P06746 3/20 0.46
TUBB4A P04350 1/20 0.46
TUBB P07437 1/20 0.46
TUBA3C P0DPH7 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 SCHEMBL967999 0.93 LMNA (0.72) LMNAAADATKDM4ESMN1; SMN2CYP1A2
SCHEMBL3965168 0.92 LMNA (0.69) LMNAAADATKDM4ESMN1; SMN2CYP1A2
SCHEMBL3965173 0.92 LMNA (0.69) LMNAAADATKDM4ESMN1; SMN2CYP1A2
SCHEMBL4410375 0.92 LMNA (0.69) LMNAAADATKDM4ESMN1; SMN2CYP1A2
SCHEMBL3968769 0.92 LMNA (0.73) LMNAAADATKDM4ESMN1; SMN2CYP1A2
SCHEMBL966483 0.92 LMNA (0.73) LMNAAADATKDM4ESMN1; SMN2CYP1A2
SCHEMBL3968764 0.92 LMNA (0.73) LMNAAADATKDM4ESMN1; SMN2CYP1A2
SCHEMBL3965024 0.92 LMNA (0.73) LMNAAADATKDM4ESMN1; SMN2CYP1A2
Acetic Acid SCHEMBL3970333 0.90 LMNA (0.71) LMNAAADATKDM4ESMN1; SMN2CYP1A2
Acetic Acid SCHEMBL3970329 0.90 LMNA (0.71) LMNAAADATKDM4ESMN1; SMN2CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1175217-B8 (S)-BENZOQUINOLIZINE CARBOXYLIC ACIDS AND THEIR USE AS ANTIBACTERIAL AGENTS WOCKHARDT LTD (IN) 2009-03-18 EP claimed
EP-2030620-A1 (s)-benzoquinolizine carboxylic acids and their use as antibacterial agents Wockhardt Limited (IN) 2009-03-04 EP claimed
US-20080108646-A1 Antibacterial optically pure benzoquinolizine carboxylic acids, processes, compositions and methods of treatment WOCKHARDT LIMITED 2008-05-08 US claimed
US-6750224-B1 USED TO SYSTEMICALLY AND TOPICALLY TREAT BACTERIAL GRAM-POSITIVE, GRAM-NEGATIVE AND ANAEROBIC INFECTIONS, ESPECIALLY RESISTANT MYCOBACTERIAL INFECTIONS AND EMERGING NOSOCOMIAL PATHOGEN INFECTIONS WOCKHARDT LIMITED (IN) 2004-06-15 US claimed
US-20030207908-A1 Antibacterial optically pure benzoquinolizine carboxylic acids, processes, compositions and methods of treatment WOCKHARDT LIMITED (IN) 2003-11-06 US claimed
EP-1175217-A2 (S)-BENZOQUINOLIZINE CARBOXYLIC ACIDS AND THEIR USE AS ANTIBACTERIAL AGENTS Wockhardt Limited (IN) 2002-01-30 EP claimed
WO-2000068229-A2 (S)-BENZOQUINOLIZINE CARBOXYLIC ACIDS AND THEIR USE AS ANTIBACTERIAL AGENTS WOCKHARDT LIMITED (IN) 2000-11-16 WO claimed
US-8507519-B2 Antibacterial optically pure benzoquinolizine carboxylic acids, processes, compositions and methods of treatment WOCKHARDT LIMITED (IN) 2013-08-13 US disclosed
EP-2030620-A1 (s)-benzoquinolizine carboxylic acids and their use as antibacterial agents Wockhardt Limited (IN) 2009-03-04 EP disclosed
US-20080108646-A1 Antibacterial optically pure benzoquinolizine carboxylic acids, processes, compositions and methods of treatment WOCKHARDT LIMITED 2008-05-08 US disclosed
US-20080044466-A1 Antibacterial optically pure benzoquinolizine carboxylic acids, processes, compositions and methods of treatment WOCKHARDT LIMITED 2008-02-21 US disclosed
US-7247642-B2 Antibacterial optically pure benzoquinolizine carboxylic acids, processes, compositions and methods of treatment WOCKHARDT LIMITED (IN) 2007-07-24 US disclosed
US-6750224-B1 USED TO SYSTEMICALLY AND TOPICALLY TREAT BACTERIAL GRAM-POSITIVE, GRAM-NEGATIVE AND ANAEROBIC INFECTIONS, ESPECIALLY RESISTANT MYCOBACTERIAL INFECTIONS AND EMERGING NOSOCOMIAL PATHOGEN INFECTIONS WOCKHARDT LIMITED (IN) 2004-06-15 US disclosed
US-20030207908-A1 Antibacterial optically pure benzoquinolizine carboxylic acids, processes, compositions and methods of treatment WOCKHARDT LIMITED (IN) 2003-11-06 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 (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-20030207908-A1 Antibacterial optically pure benzoquinolizine carboxylic acids, processes, compositions and methods of treatment RPS27L, HBZ, WIZ HRH3 982/4885KCNH2 3073/4885OPRM1 15/4885
US-20080108646-A1 Antibacterial optically pure benzoquinolizine carboxylic acids, processes, compositions and methods of treatment CRYZ, SQLE, SDHA HRH3 1087/4885KCNH2 1622/4885OPRM1 474/4885
US-20080044466-A1 Antibacterial optically pure benzoquinolizine carboxylic acids, processes, compositions and methods of treatment CRYZ, SQLE, SDHA HRH3 1087/4885KCNH2 1622/4885OPRM1 474/4885

“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.