SCHEMBL7617752

SCHEMBL7617752

CN(C)CNS(=O)(=O)c1ccccc1-c1ccc(CBr)cc1

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 5/20 0.43
OPRK1 P41145 5/20 0.43
ALOX5AP P20292 3/20 0.39
FEN1 P39748 3/20 0.39
EDNRA P25101 2/20 0.38
EDNRB P24530 1/20 0.38

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
SCHEMBL6066483 0.86 OPRM1 (0.43) OPRM1OPRK1ALOX5APFEN1EDNRA
SCHEMBL9105313 0.85 ALOX5AP (0.53) OPRM1OPRK1ALOX5APFEN1EDNRA
SCHEMBL6066477 0.81 NAT1 (0.42) OPRM1OPRK1ALOX5APFEN1
SCHEMBL2280981 0.79 ALOX5AP (0.54) OPRM1OPRK1ALOX5APFEN1
SCHEMBL7348499 0.76 OPRM1 (0.43) OPRM1OPRK1ALOX5APFEN1EDNRA
SCHEMBL7608209 0.75 PTGES2 (0.40) EDNRAEDNRB
SCHEMBL1458690 0.73 CES2 (0.41) OPRM1OPRK1
SCHEMBL7616577 0.73 EDNRA (0.43) EDNRA
SCHEMBL654704 0.72 LMNA (0.39) OPRM1OPRK1ALOX5APFEN1
SCHEMBL7567015 0.72 LMNA (0.39) OPRM1OPRK1ALOX5APFEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6486189-B2 TREATMENT OR PROPHYLAXIS OF AN ILLNESS CAUSED BY AN ISCHEMIC CONDITION, OR FOR THE TREATMENT OF IMPAIRED RESPIRATORY DRIVE HOECHST AKTIENGESELLSCHAFT (DE) 2002-11-26 US disclosed
US-20020045761-A1 Five-membered heterocycles having biphenylsulfonyl substitution, process for their preparation, their use as a medicament or diagnostic, and medicament comprising them KLEEMANN HEINZ-WERNER (DE) 2002-04-18 US disclosed
US-6369236-B1 DRUG FOR MEDICAL DIAGNOSIS ANTIARRHYTHMIC PROPRIETIES AND CONTAIN A CARDIOPROTECTIVE COMPOUND. THEY CAN PREVENTIVELY INHIBIT OR STRONGLY REDUCE PATHOPHYSIOLOGIC PROCESSES UPON OCCURRENCE OF ISCHEMIC INJURIES, ESPECIALLY ISCHEMIC CARDIAC AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2002-04-09 US disclosed
US-6335451-B1 ANTIARRYTHMIA AGENTS, ANTIPROLIFERATIVE AGENTS HOECHST AKTIENGESELLSCHAFT (DE) 2002-01-01 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 (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-20020045761-A1 Five-membered heterocycles having biphenylsulfonyl substitution, process for their preparation, their use as a medicament or diagnostic, and medicament comprising them BAX, BCL2, TNNI3 OPRM1 3955/4885OPRK1 3466/4885ALOX5AP 2188/4885

“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.