Hydrochloric Acid

Hydrochloric Acid

SCHEMBL3405329

Cl.O=C(C1CCc2cc(Cl)c(Cl)cc21)N1CCSCC1CN1CCCC1

nearest known ligand 0.98

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 19)

geneUniProtsupporting neighboursconfidence
OPRK1 known ✓ P41145 14/20 0.41
DRD4 known ✓ P21917 1/20 0.41
SLC6A3 known ✓ Q01959 1/20 0.41
SIGMAR1 known ✓ Q99720 1/20 0.41
OPRD1 known ✓ P41143 2/20 0.39
HRH3 known ✓ Q9Y5N1 1/20 0.37
BLM P54132 1/20 0.41
PMP22 Q01453 1/20 0.41
TMEM97 Q5BJF2 1/20 0.41
NPC1 O15118 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
NFKB1 P19838 1/20 0.39
CYP2C19 P33261 1/20 0.39
HIF1A Q16665 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
UTS2R Q9UKP6 1/20 0.36

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 SCHEMBL8900849 1.00 OPRK1 (0.41) OPRK1BLMPMP22DRD4SLC6A3
Hydrochloric Acid SCHEMBL29878122 1.00 OPRK1 (0.41) OPRK1BLMPMP22DRD4SLC6A3
Hydrochloric Acid SCHEMBL8901918 1.00 OPRK1 (0.41) OPRK1BLMPMP22DRD4SLC6A3
SCHEMBL6623245 0.99 OPRK1 (0.40) OPRK1BLMPMP22DRD4SLC6A3
SCHEMBL8834722 0.99 OPRK1 (0.40) OPRK1BLMPMP22DRD4SLC6A3
SCHEMBL8901205 0.99 OPRK1 (0.40) OPRK1BLMPMP22DRD4SLC6A3
SCHEMBL8900202 0.99 OPRK1 (0.40) OPRK1BLMPMP22DRD4SLC6A3
SCHEMBL8564463 0.98 OPRK1 (0.41) OPRK1BLMPMP22DRD4SLC6A3
SCHEMBL8562982 0.94 OPRK1 (0.39) OPRK1BLMPMP22DRD4SLC6A3
SCHEMBL8558381 0.93 OPRK1 (0.40) OPRK1BLMPMP22DRD4SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2001015678-A2 TOPICAL USE OF KAPPA OPIOID AGONISTS TO TREAT OTIC PAIN ALCON LABORATORIES, INC. (US) 2001-03-08 WO claimed
US-11529342-B2 Sorbic and benzoic acid and derivatives thereof enhance the activity of a neuropharmaceutical LOS ANGELES BIOMEDICAL RESEARCH INSTITUTE AT HARBOR-UCLA MEDICAL CENTER (US) 2022-12-20 US disclosed
EP-3006023-B1 SORBIC ACID AND DERIVATIVES THEREOF TO ENHANCE THE ACTIVITY OF A NEUROPHARMACEUTICAL LOS ANGELES BIOMEDICAL RES INST HARBOR UCLA MEDICAL CT (US) 2019-06-26 EP disclosed
US-20190151301-A1 SORBIC AND BENZOIC ACID AND DERIVATIVES THEREOF ENHANCE THE ACTIVITY OF A NEUROPHARMACEUTICAL LOS ANGELES BIOMEDICAL RESEARCH INSTITUTE AT HARBOR-UCLA MEDICAL CENTER (US) 2019-05-23 US disclosed
EP-3006024-B1 BENZOIC ACID OR SALTS THEREOF TO ENHANCE THE ACTIVITY OF A NEUROPHARMACEUTICAL LOS ANGELES BIOMEDICAL RES INST HARBOR UCLA MEDICAL CT (US) 2019-03-20 EP disclosed
US-10149845-B2 Sorbic and benzoic acid and derivatives thereof enhance the activity of a neuropharmaceutical LOS ANGELES BIOMEDICAL RESEARCH INSTITUTE AT HARBOR-UCLA MEDICAL CENTER (US) 2018-12-11 US disclosed
US-10039730-B2 Sorbic and benzoic acid and derivatives thereof enhance the activity of a neuropharmaceutical LOS ANGELES BIOMEDICAL RESEARCH INSTITUTE AT HARBOR-UCLA MEDICAL CENTER (US) 2018-08-07 US disclosed
US-20170189358-A1 SORBIC AND BENZOIC ACID AND DERIVATIVES THEREOF ENHANCE THE ACTIVITY OF A NEUROPHARMACEUTICAL LOS ANGELES BIOMEDICAL RESEARCH INSTITUTE AT HARBOR-UCLA MEDICAL CENTER (US) 2017-07-06 US disclosed
US-20170181989-A1 SORBIC AND BENZOIC ACID AND DERIVATIVES THEREOF ENHANCE THE ACTIVITY OF A NEUROPHARMACEUTICAL LOS ANGELES BIOMEDICAL RESEARCH INSTITUTE AT HARBOR-UCLA MEDICAL CENTER (US) 2017-06-29 US disclosed
US-9675604-B2 Sorbic and benzoic acid and derivatives thereof enhance the activity of a neuropharmaceutical LOS ANGELES BIOMEDICAL RESEARCH INSTITUTE AT HARBOR-UCLA MEDICAL CENTER (US) 2017-06-13 US disclosed
EP-1327444-A1 Antipruritic agent TORAY INDUSTRIES, INC. (JP) 2003-07-16 EP disclosed
EP-1312361-A1 Antipruritic agent TORAY INDUSTRIES, INC. (JP) 2003-05-21 EP disclosed
EP-1310251-A1 Antipruritic agent TORAY INDUSTRIES, INC. (JP) 2003-05-14 EP disclosed
EP-1310255-A1 Antipruritic agent TORAY INDUSTRIES, INC. (JP) 2003-05-14 EP disclosed
US-20020137760-A1 Antipruritic TORAY INDUSTRIES, INC. 2002-09-26 US disclosed
US-6440987-B1 MORPHIAN N-OXIDE DERIVATIVES TORAY INDUSTRIES, INC. (JP) 2002-08-27 US disclosed
US-6316461-B1 ADMINISTERING OPIATE K RECEPTOR AGONIST TORAY INDUSTRIES, INC. (JP) 2001-11-13 US disclosed
WO-2001015678-A2 TOPICAL USE OF KAPPA OPIOID AGONISTS TO TREAT OTIC PAIN ALCON LABORATORIES, INC. (US) 2001-03-08 WO disclosed
US-6174891-B1 A MORPHINAN DERIVTIVE AS A POTENT AND FAST-ACTING OPIATE KAPPA RECEPTOR FOR THE RELIEF OF PURITIS DUE TO DERMATOSES WITH INFLAMMATION OR AN INTERNAL DISEASE (MALIGNANT TUMORS, DIABETES MELLITUS, HEPATIC DISEASES, GOUT; RENAL FAILURE TORAY INDUSTRIES, INC. (JP) 2001-01-16 US disclosed
EP-0897726-A1 ANTIPRURITIC AGENT TORAY INDUSTRIES, INC. (JP) 1999-02-24 EP 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 (1 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-20020137760-A1 Antipruritic ITCH, MRGPRX2, MRGPRX4 OPRK1 75/4885DRD4 803/4885SLC6A3 2162/4885

“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.