Hydrochloric Acid

Hydrochloric Acid

SCHEMBL1509633

CC(C)C(N)C(=O)C1CCCC1.Cl

nearest known ligand 0.41

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 16)

geneUniProtsupporting neighboursconfidence
DPP4 known ✓ P27487 9/20 0.39
GAA known ✓ P10253 1/20 0.32
HDAC8 known ✓ Q9BY41 1/20 0.32
HDAC6 known ✓ Q9UBN7 1/20 0.32
SLC7A5 Q01650 1/20 0.41
DPP7 Q9UHL4 5/20 0.39
FAP Q12884 4/20 0.39
DPP8 Q6V1X1 4/20 0.39
DPP9 Q86TI2 3/20 0.39
PREP P48147 2/20 0.39
PITRM1 Q5JRX3 1/20 0.39
CES2 O00748 1/20 0.37
CES1 P23141 1/20 0.37
TSHR P16473 2/20 0.32
MAPK1 P28482 1/20 0.32
RECQL P46063 1/20 0.31

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
SCHEMBL2768837 0.98 SLC7A5 (0.42) SLC7A5DPP4DPP7FAPDPP8
SCHEMBL6651288 0.96 CES2 (0.42) SLC7A5DPP4DPP7FAPDPP8
SCHEMBL6760294 0.96 CES2 (0.42) SLC7A5DPP4DPP7FAPDPP8
SCHEMBL13759725 0.89 SLC7A5 (0.46) SLC7A5DPP4DPP7FAPDPP8
SCHEMBL29779928 0.81 CES2 (0.41) DPP4DPP7PREPCES2CES1
Hydrochloric Acid SCHEMBL389541 0.80 DPP4 (0.46) DPP4DPP7FAPDPP8DPP9
SCHEMBL17599037 0.79 CES2 (0.42) DPP4DPP7FAPDPP8DPP9
SCHEMBL1024006 0.78 DPP4 (0.47) DPP4DPP7FAPDPP8DPP9
SCHEMBL22507708 0.77 CES2 (0.46) DPP4DPP7FAPDPP8DPP9
SCHEMBL21445109 0.77 CES2 (0.46) DPP4DPP7FAPDPP8DPP9

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 53 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 DPP4 1981/4885GAA 288/4885HDAC8 4037/4885
US-20050014946-A1 Substituted amino ketone compounds GPR119, GLS, GCKR DPP4 999/4885GAA 890/4885HDAC8 4402/4885
US-20090149394-A1 USE OF EFFECTORS OF GLUTAMINYL AND GLUTAMATE CYCLASES GLS, GLUL, GLS2 DPP4 1981/4885GAA 288/4885HDAC8 4037/4885
US-20030125304-A1 Substituted amino ketone compounds SLC5A1, GLS, GPR119 DPP4 2033/4885GAA 1131/4885HDAC8 4309/4885

“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.