SCHEMBL3983790

SCHEMBL3983790

CC(=O)NCCN(Cc1cccc(F)c1)C(Cc1cc(Cl)cc(Cl)c1)c1ncc[nH]1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 2/20 0.37
OPRL1 P41146 2/20 0.37
ALDH1A1 P00352 1/20 0.36
SNCA P37840 3/20 0.36
NR1H4 Q96RI1 1/20 0.34
PPARG P37231 2/20 0.34
PPARA Q07869 2/20 0.34
BACE1 P56817 1/20 0.34
GPR52 Q9Y2T5 1/20 0.34
CNR1 P21554 2/20 0.33
MARS1 P56192 1/20 0.33
MTNR1A P48039 1/20 0.33
MTNR1B P49286 1/20 0.33
OPRD1 P41143 1/20 0.33
SLC2A1 P11166 1/20 0.33

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
SCHEMBL3981755 0.92 OPRM1 (0.38) OPRM1OPRL1ALDH1A1SNCAPPARG
SCHEMBL3981443 0.89 SNCA (0.40) SNCAGPR52
SCHEMBL3982572 0.89 CTSS (0.39) OPRM1OPRL1ALDH1A1SNCAPPARG
SCHEMBL3980103 0.88 PKM (0.40) OPRM1OPRL1ALDH1A1SNCAPPARG
SCHEMBL3981176 0.85 PPARG (0.36) OPRM1OPRL1ALDH1A1SNCAPPARG
SCHEMBL3984838 0.85 PPARG (0.35) OPRM1OPRL1SNCAPPARGPPARA
SCHEMBL3978853 0.85 TAAR1 (0.38) OPRM1OPRL1PPARGPPARA
SCHEMBL3978719 0.84 PPARG (0.36) OPRM1OPRL1ALDH1A1SNCAPPARG
SCHEMBL3983751 0.83 SLC6A2 (0.39) OPRM1OPRL1PPARGPPARABACE1
SCHEMBL3979508 0.82 CYP2D6 (0.35) OPRM1ALDH1A1OPRD1

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-7572921-B2 Substituted benzylimidazoles useful for the treatment of inflammatory diseases BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-08-11 US claimed
US-20060252811-A1 SUBSTITUTED BENZYLIMIDAZOLES USEFUL FOR THE TREATMENT OF INFLAMMATORY DISEASES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-11-09 US claimed
US-7572921-B2 Substituted benzylimidazoles useful for the treatment of inflammatory diseases BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-08-11 US disclosed
US-20060252811-A1 SUBSTITUTED BENZYLIMIDAZOLES USEFUL FOR THE TREATMENT OF INFLAMMATORY DISEASES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-11-09 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-20060252811-A1 SUBSTITUTED BENZYLIMIDAZOLES USEFUL FOR THE TREATMENT OF INFLAMMATORY DISEASES IL4I1, NFKBIA, BRD4 OPRM1 3624/4885OPRL1 1688/4885ALDH1A1 421/4885

“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.