Hydrochloric Acid

Hydrochloric Acid

SCHEMBL1509727

Cl.O=C(C1CCCC1)C1Cc2ccccc2CN1

nearest known ligand 0.47

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 10)

geneUniProtsupporting neighboursconfidence
OPRM1 known ✓ P35372 1/20 0.40
OPRD1 known ✓ P41143 1/20 0.40
OPRK1 known ✓ P41145 1/20 0.40
KMT2A Q03164 4/20 0.47
MEN1 O00255 2/20 0.47
SMYD3 Q9H7B4 1/20 0.41
POLB P06746 1/20 0.41
PRCP P42785 1/20 0.40
BLM P54132 1/20 0.39
PNMT P11086 1/20 0.39

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 SCHEMBL27646595 1.00 KMT2A (0.47) KMT2AMEN1SMYD3POLBOPRM1
SCHEMBL2767787 0.98 KMT2A (0.45) KMT2AMEN1SMYD3POLBOPRM1
SCHEMBL4113751 0.98 KMT2A (0.45) KMT2AMEN1SMYD3POLBOPRM1
Hydrochloric Acid SCHEMBL31263635 0.80 KMT2A (0.43) KMT2AMEN1SMYD3POLBOPRM1
Hydrochloric Acid SCHEMBL7272490 0.78 GAA (0.56) KMT2AMEN1OPRM1OPRD1OPRK1
Hydrochloric Acid SCHEMBL7272493 0.78 GAA (0.56) KMT2AMEN1OPRM1OPRD1OPRK1
Hydrochloric Acid SCHEMBL29927155 0.78 GAA (0.56) KMT2AMEN1OPRM1OPRD1OPRK1
Hydrochloric Acid SCHEMBL1202518 0.78 GAA (0.56) KMT2AMEN1OPRM1OPRD1OPRK1
Hydrochloric Acid SCHEMBL32677098 0.78 GAA (0.56) KMT2AMEN1OPRM1OPRD1OPRK1
Hydrochloric Acid SCHEMBL29897791 0.77 MEN1 (0.51) KMT2AMEN1SMYD3OPRM1OPRD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1675578-B9 INHIBITORS OF GLUTAMINYL AND GLUTAMATE CYCLASES FOR THE TREATMENT OF THE NEURODEGENERATIVE DISEASES FBD AND FDD PROBIODRUG AG (DE) 2014-06-25 EP claimed
US-8470781-B2 Use of effectors of glutaminyl and glutamate cyclases PROBIODRUG AG (DE) 2013-06-25 US claimed
EP-1675578-B1 INHIBITORS OF GLUTAMINYL AND GLUTAMATE CYCLASES FOR THE TREATMENT OF THE NEURODEGENERATIVE DISEASES FBD AND FDD PROBIODRUG AG (DE) 2013-05-22 EP claimed
EP-2289498-A1 Use of inhibitors of glutaminyl clyclase Probiodrug AG (DE) 2011-03-02 EP claimed
EP-1620082-B9 MEDICAL USE OF INHIBITORS OF GLUTAMINYL AND GLUTAMATE CYCLASES FOR TREATING ALZHEIMER'S DISEASE AND DOWN SYNDROME PROBIODRUG AG (DE) 2010-08-25 EP claimed
EP-2206496-A1 Medical use of inhibitors of glutaminyl and glutamate cyclases Probiodrug AG (DE) 2010-07-14 EP claimed
EP-1620082-B1 MEDICAL USE OF INHIBITORS OF GLUTAMINYL AND GLUTAMATE CYCLASES FOR TREATING ALZHEIMER'S DISEASE AND DOWN SYNDROME PROBIODRUG AG (DE) 2010-04-21 EP claimed
US-20090149394-A1 USE OF EFFECTORS OF GLUTAMINYL AND GLUTAMATE CYCLASES PROBIODRUG AG (DE) 2009-06-11 US claimed
US-7462599-B2 Use of effectors of glutaminyl and glutamate cyclases PROBIODRUG AG (DE) 2008-12-09 US claimed
EP-1961416-A1 Medical use of inhibitors of glutaminyl and glutamate cyclases Probiodrug AG (DE) 2008-08-27 EP claimed
US-7381537-B2 Use of inhibitors of glutaminyl cyclases for treatment and prevention of disease PROBIODRUG AG (DE) 2008-06-03 US claimed
US-20060189523-A1 Use of effectors of glutaminyl and glutamate cyclases PROBIODRUG AG (DE) 2006-08-24 US claimed
US-20050014946-A1 Substituted amino ketone compounds PROSIDION LIMITED (GB) 2005-01-20 US claimed
EP-1442049-A2 SUBSTITUTED AMINO KETONE COMPOUNDS Probiodrug AG (DE) 2004-08-04 EP claimed
US-20030125304-A1 Substituted amino ketone compounds PROSIDION LIMITED (GB) 2003-07-03 US claimed
WO-2003040174-A2 SUBSTITUTED AMINO KETONE COMPOUNDS PROBIODRUG AG (DE) 2003-05-15 WO claimed
EP-1675578-B9 INHIBITORS OF GLUTAMINYL AND GLUTAMATE CYCLASES FOR THE TREATMENT OF THE NEURODEGENERATIVE DISEASES FBD AND FDD PROBIODRUG AG (DE) 2014-06-25 EP disclosed
US-8470781-B2 Use of effectors of glutaminyl and glutamate cyclases PROBIODRUG AG (DE) 2013-06-25 US disclosed
US-20030125304-A1 Substituted amino ketone compounds PROSIDION LIMITED (GB) 2003-07-03 US disclosed
WO-2003040174-A2 SUBSTITUTED AMINO KETONE COMPOUNDS PROBIODRUG AG (DE) 2003-05-15 WO 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 (4 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-20060189523-A1 Use of effectors of glutaminyl and glutamate cyclases GLS, GLUL, GLS2 OPRM1 4018/4885OPRD1 3214/4885OPRK1 3409/4885
US-20050014946-A1 Substituted amino ketone compounds GPR119, GLS, GCKR OPRM1 2057/4885OPRD1 1528/4885OPRK1 941/4885
US-20090149394-A1 USE OF EFFECTORS OF GLUTAMINYL AND GLUTAMATE CYCLASES GLS, GLUL, GLS2 OPRM1 4018/4885OPRD1 3214/4885OPRK1 3409/4885
US-20030125304-A1 Substituted amino ketone compounds SLC5A1, GLS, GPR119 OPRM1 1665/4885OPRD1 1272/4885OPRK1 684/4885

“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.