SCHEMBL233523

SCHEMBL233523

O=C(O)[C@H](c1ccccc1Cl)N1CCc2sccc2C1.O=C(O)[C@H](c1ccccc1Cl)N1CCc2sccc2C1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCB11 O95342 4/20 0.77
OPRM1 P35372 3/20 0.77
CYP2C19 P33261 3/20 0.77
ADRA2A P08913 2/20 0.77
CYP2B6 P20813 2/20 0.77
DRD1 P21728 2/20 0.77
OPRK1 P41145 2/20 0.77
HTR2B P41595 2/20 0.77
KCNH2 Q12809 2/20 0.77
CHRM2 P08172 2/20 0.77
P2RY12 Q9H244 2/20 0.77
THRB P10828 1/20 0.77
NR1I2 O75469 1/20 0.77
HTR2A P28223 1/20 0.77
SLC6A4 P31645 1/20 0.77
CYP2C8 P10632 1/20 0.63
CES1 P23141 1/20 0.63
ADORA3 P0DMS8 2/20 0.47
ALDH1A1 P00352 2/20 0.47
USP2 O75604 1/20 0.47

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
SCHEMBL13403893 1.00 ABCB11 (0.77) ABCB11OPRM1CYP2C19ADRA2ACYP2B6
SCHEMBL30277249 1.00 ABCB11 (0.77) ABCB11OPRM1CYP2C19ADRA2ACYP2B6
SCHEMBL3173500 1.00 ABCB11 (0.77) ABCB11OPRM1CYP2C19ADRA2ACYP2B6
SCHEMBL364610 1.00 ABCB11 (0.77) ABCB11OPRM1CYP2C19ADRA2ACYP2B6
SCHEMBL4770 1.00 ABCB11 (0.77) ABCB11OPRM1CYP2C19ADRA2ACYP2B6
SCHEMBL19148650 1.00 ABCB11 (0.77) ABCB11OPRM1CYP2C19ADRA2ACYP2B6
Water SCHEMBL3377943 0.99 ABCB11 (0.76) ABCB11OPRM1CYP2C19ADRA2ACYP2B6
Hydrochloric Acid SCHEMBL6635560 0.99 ABCB11 (0.76) ABCB11OPRM1CYP2C19ADRA2ACYP2B6
Bromide SCHEMBL1130039 0.99 ABCB11 (0.76) ABCB11OPRM1CYP2C19ADRA2ACYP2B6
Iodide SCHEMBL1402210 0.99 ABCB11 (0.76) ABCB11OPRM1CYP2C19ADRA2ACYP2B6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011018784-A1 PACKAGE FOR ALTERNATING MEDICATIONS MOHR REPHAEL (IL) 2011-02-17 WO claimed
EP-3397139-B1 DEVICE, SYSTEM AND METHOD FOR NON-INVASIVE MONITORING OF PHYSIOLOGICAL MEASUREMENTS WEAR2B LTD (IL) 2024-01-31 EP disclosed
CN-108601529-B Apparatus, system and method for non-invasive monitoring of physiological measurements 威尔图比有限公司 2022-02-25 CN disclosed
US-11129556-B2 Device, system and method for non-invasive monitoring of physiological measurements Wear2B Ltd. (IL) 2021-09-28 US disclosed
US-20190008432-A1 DEVICE, SYSTEM AND METHOD FOR NON-INVASIVE MONITORING OF PHYSIOLOGICAL MEASUREMENTS Wear2B Ltd. (IL) 2019-01-10 US disclosed
EP-3397139-A1 DEVICE, SYSTEM AND METHOD FOR NON-INVASIVE MONITORING OF PHYSIOLOGICAL MEASUREMENTS Wear2b Ltd (IL) 2018-11-07 EP disclosed
CN-108601529-A The equipment, system and method for non-invasive monitoring for physiological measurements 威尔图比有限公司 2018-09-28 CN disclosed
WO-2017115361-A1 DEVICE, SYSTEM AND METHOD FOR NON-INVASIVE MONITORING OF PHYSIOLOGICAL MEASUREMENTS WEAR2B LTD (IL) 2017-07-06 WO disclosed
US-9029390-B2 Oral composition containing an antiplatelet agent of the thienopyridine family in the form of free base CLL PHARMA (FR) 2015-05-12 US disclosed
US-20120010192-A1 Fused Heterocyclic Compounds as Ion Channel Modulators GILEAD SCIENCES, INC. 2012-01-12 US disclosed
US-20110009410-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS GILEAD SCIENCES, INC. (US) 2011-01-13 US disclosed
US-20090264460-A1 CLOPIDOGREL PHARMACEUTICAL FORMULATIONS DR. REDDY'S LABORATORIES LIMITED (IN) 2009-10-22 US disclosed
EP-1768660-A4 COMPOUNDS AND METHODS FOR TREATING DIABETIC VASCULAR DISEASES ATHEROGENICS INC (US) 2009-05-13 EP disclosed
US-20080207601-A1 Methods of and Compositions For the Prevention of Anxiety, Substance Abuse, and Dependence HYTHIAM , INC. (US) 2008-08-28 US disclosed
EP-1868593-A2 IMPROVED METHODS OF AND COMPOSITIONS FOR THE PREVENTION OF ANXIETY, SUBSTANCE ABUSE, AND DEPENDENCE Hythiam, Inc. (US) 2007-12-26 EP disclosed
EP-1768660-A2 COMPOUNDS AND METHODS FOR TREATING DIABETIC VASCULAR DISEASES Atherogenics, Inc. (US) 2007-04-04 EP disclosed
EP-1758664-A2 PROCESS EMPLOYING CONTROLLED CRYSTALLIZATION IN FORMING CRYSTALS OF A PHARMACEUTICAL Bristol-Myers Squibb Company (US) 2007-03-07 EP disclosed
WO-2006110642-A2 IMPROVED METHODS OF AND COMPOSITIONS FOR THE PREVENTION OF ANXIETY, SUBSTANCE ABUSE, AND DEPENDENCE HYTHIAM, INC. (US) 2006-10-19 WO disclosed
WO-2006007508-A2 COMPOUNDS AND METHODS FOR TREATING DIABETIC VASCULAR DISEASES ATHEROGENICS, INC. (US) 2006-01-19 WO disclosed
WO-2005108380-A2 PROCESS EMPLOYING CONTROLLED CRYSTALLIZATION IN FORMING CRYSTALS OF A PHARMACEUTICAL BRISTOL-MYERS SQUIBB COMPANY (US) 2005-11-17 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 (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-20110009410-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS BAX, CASP1, AIFM1 ABCB11 3655/4885OPRM1 4275/4885CYP2C19 4641/4885
US-20090264460-A1 CLOPIDOGREL PHARMACEUTICAL FORMULATIONS PFKP, P2RY11, P2RY12 ABCB11 150/4885OPRM1 2982/4885CYP2C19 8/4885
US-20120010192-A1 Fused Heterocyclic Compounds as Ion Channel Modulators KCNJ2, KCNH2, CACNA1E ABCB11 726/4885OPRM1 1074/4885CYP2C19 1727/4885

“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.