Hydrochloric Acid

Hydrochloric Acid

SCHEMBL188564

CNCCNC(=O)OCc1ccccc1.Cl

nearest known ligand 0.67

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
GAA known ✓ P10253 1/20 0.49
CA2 known ✓ P00918 1/20 0.49
LMNA P02545 1/20 0.67
SMN1; SMN2 Q16637 1/20 0.67
HTT P42858 1/20 0.63
L3MBTL1 Q9Y468 2/20 0.58
MAPT P10636 1/20 0.57
TGM2 P21980 1/20 0.56
KEAP1 Q14145 2/20 0.55
NFE2L2 Q16236 2/20 0.55
SLC1A3 P43003 1/20 0.52
SLC1A1 P43005 1/20 0.52
ALDH1A1 P00352 1/20 0.51
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
KAT2B Q92831 1/20 0.49
IDO1 P14902 1/20 0.49
TDO2 P48775 1/20 0.49

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
SCHEMBL2384157 0.98 LMNA (0.69) LMNASMN1; SMN2HTTL3MBTL1MAPT
SCHEMBL13055383 0.90 LMNA (0.80) LMNASMN1; SMN2HTTL3MBTL1MAPT
SCHEMBL6494174 0.89 HTT (0.70) LMNASMN1; SMN2HTTL3MBTL1MAPT
SCHEMBL14463120 0.88 HTT (0.68) LMNASMN1; SMN2HTTL3MBTL1MAPT
SCHEMBL7907549 0.88 HTT (0.68) LMNASMN1; SMN2HTTL3MBTL1MAPT
SCHEMBL19527223 0.88 HTT (0.68) LMNASMN1; SMN2HTTL3MBTL1MAPT
Hydrochloric Acid SCHEMBL4506331 0.87 LMNA (0.71) LMNASMN1; SMN2HTTL3MBTL1MAPT
SCHEMBL10243339 0.87 LMNA (0.71) LMNASMN1; SMN2HTTL3MBTL1MAPT
SCHEMBL8428000 0.85 LMNA (0.69) LMNASMN1; SMN2HTTL3MBTL1MAPT
Hydrochloric Acid SCHEMBL27543692 0.85 LMNA (0.69) LMNASMN1; SMN2HTTL3MBTL1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2402037-B1 CONTROLLED RELEASE OF PHENOLIC OPIOIDS SIGNATURE THERAPEUTICS INC (US) 2019-10-23 EP disclosed
US-20150148284-A1 Controlled Release of Phenolic Opioids PHARMACOFORE, INC. 2015-05-28 US disclosed
US-8921418-B2 Controlled release of phenolic opioids SIGNATURE THERAPEUTICS, INC. (US) 2014-12-30 US disclosed
EP-2046393-B1 CONTROLLED RELEASE OF PHENOLIC OPIOIDS SIGNATURE THERAPEUTICS INC (US) 2014-02-12 EP disclosed
US-20120270894-A1 Controlled Release of Phenolic Opioids 3I, LP 2012-10-25 US disclosed
US-8217005-B2 Controlled release of phenolic opioids SIGNATURE THERAPEUTICS, INC. (US) 2012-07-10 US disclosed
EP-2402037-A1 Controlled release of phenolic opioids Pharmacofore, Inc. (US) 2012-01-04 EP disclosed
US-20110105381-A2 Prodrugs of Peripheral Phenolic Opioid Antagonists PHARMACOFORE, INC. (US) 2011-05-05 US disclosed
US-20100267614-A1 Prodrugs of Peripheral Phenolic Opioid Antagonists PHARMACOFORE, INC. 2010-10-21 US disclosed
US-20100035826-A1 CONTROLLED RELEASE OF PHENOLIC OPIOIDS Phamacofoce, Inc. (CA) 2010-02-11 US disclosed
EP-2046393-A2 CONTROLLED RELEASE OF PHENOLIC OPIOIDS Pharmacofore, Inc. (US) 2009-04-15 EP disclosed
WO-2008101187-A2 PRO-DRUGS OF PERIPHERAL PHENOLIC OPIOID ANTAGONISTS PHARMACOFORE, INC. (US) 2008-08-21 WO disclosed
WO-2007140272-A2 CONTROLLED RELEASE OF PHENOLIC OPIOIDS PHARMACOFORE, INC. (US) 2007-12-06 WO disclosed
US-7090828-B2 Vitronectin receptor antagonist pharmaceuticals BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2006-08-15 US disclosed
US-6818201-B2 FOR ANGIOGENESIS TREATMENT AND DESTRUCTION OF NEW ANGIOGENIC VASCULATURE; USEFUL FOR IMAGING ATHEROSCLEROSIS, RESTENOSIS, CARDIAC ISCHEMIA AND MYOCARDIAL REPERFUSION INJURY; THERAPY OF RHEUMATOID ARTHRITIS BRISTOL-MYERS SQUIBB PHARMA COMPANY 2004-11-16 US disclosed
US-20040014964-A1 Vitronectin receptor antagonist pharmaceuticals LANTHEUS MEDICAL IMAGING, INC. 2004-01-22 US disclosed
US-20030143235-A1 Vitronectin receptor antagonist pharmaceuticals LANTHEUS MEDICAL IMAGING, INC. 2003-07-31 US disclosed
US-6569402-B1 Targeting moiety that binds to receptor upregulated during angiogenesis, and a radioisotope or diagnostically imageable moiety; receptor integrin and compound is a benzodiazepine, benzodiazepinedione, or dibenzotrihydroannulene nonapeptide BRISTOL-MYERS SQUIBB PHARMA COMPANY 2003-05-27 US disclosed
US-6558649-B1 Benzodiazepine nonpeptide targeting moiety bound to chelating group; diagnosis and treatment of cancer; imaging tumors; monitoring therapeutic angiogenesis treatment and destruction of new angiogenic vasculature BRISTOL-MYERS SQUIBB PHARMA COMPANY 2003-05-06 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 (7 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-20030143235-A1 Vitronectin receptor antagonist pharmaceuticals ADGRF1, RXFP1, ADGRE5 GAA 3764/4885CA2 3206/4885LMNA 168/4885
US-20120270894-A1 Controlled Release of Phenolic Opioids OPRK1, OPRM1, OPRD1 GAA 669/4885CA2 658/4885LMNA 4070/4885
US-20150148284-A1 Controlled Release of Phenolic Opioids OPRK1, OPRM1, OPRD1 GAA 669/4885CA2 658/4885LMNA 4070/4885
US-20110105381-A2 Prodrugs of Peripheral Phenolic Opioid Antagonists OPRM1, OPRL1, OPRK1 GAA 3703/4885CA2 4102/4885LMNA 1983/4885
US-20100035826-A1 CONTROLLED RELEASE OF PHENOLIC OPIOIDS OPRK1, OPRM1, OPRD1 GAA 669/4885CA2 658/4885LMNA 4070/4885
US-20040014964-A1 Vitronectin receptor antagonist pharmaceuticals ADGRF1, RXFP1, VCAM1 GAA 3952/4885CA2 3290/4885LMNA 137/4885
US-20100267614-A1 Prodrugs of Peripheral Phenolic Opioid Antagonists OPRM1, OPRK1, OPRL1 GAA 3740/4885CA2 4091/4885LMNA 2333/4885

“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.