SCHEMBL659504

SCHEMBL659504

Cc1ccc(N2C(=O)NC(=O)C23CCN(C)CC3)cc1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BDKRB2 P30411 1/20 0.46
AR P10275 1/20 0.44
OPRM1 P35372 4/20 0.39
POLB P06746 1/20 0.39
QPCT Q16769 1/20 0.39
ALOX5 P09917 1/20 0.38
MAPT P10636 1/20 0.37
OPRK1 P41145 1/20 0.37
OPRL1 P41146 1/20 0.37
ALDH1A1 P00352 1/20 0.36
MAPK1 P28482 1/20 0.36
MCHR1 Q99705 1/20 0.36
LMNA P02545 1/20 0.36
SLC6A9 P48067 1/20 0.36
SLC6A5 Q9Y345 1/20 0.36
HTR2B P41595 1/20 0.35

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
SCHEMBL9497177 0.86 MCHR1 (0.46) BDKRB2OPRM1QPCTOPRK1OPRL1
SCHEMBL201840 0.84 POLB (0.51) AROPRM1POLBMAPTALDH1A1
SCHEMBL660327 0.83 ADRB1 (0.43) OPRM1POLBQPCTALOX5MAPT
SCHEMBL659257 0.82 GAA (0.42) BDKRB2POLBMAPTALDH1A1MAPK1
SCHEMBL660567 0.78 MCHR1 (0.57) OPRM1POLBMAPTOPRK1OPRL1
SCHEMBL661883 0.77 CRBN (0.53) POLBMAPTLMNA
SCHEMBL660313 0.76 GPR119 (0.52) MAPTALDH1A1MCHR1LMNA
SCHEMBL14463379 0.75 MAPT (0.48) OPRM1ALOX5MAPTOPRL1ALDH1A1
SCHEMBL17082985 0.72 AR (0.44) ARPOLBALOX5MAPTALDH1A1
SCHEMBL17082982 0.72 POLB (0.45) ARPOLBALOX5MAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120045500-A1 NOVEL DIOXO-IMIDAZOLIDINE DERIVATIVES, WHICH INHIBIT THE ENZYME SOAT-1, AND PHARMACEUTICAL AND COSMETIC COMPOSITIONS CONTAINING THEM GALDERMA RESEARCH & DEVELOPMENT (FR) 2012-02-23 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-20120045500-A1 NOVEL DIOXO-IMIDAZOLIDINE DERIVATIVES, WHICH INHIBIT THE ENZYME SOAT-1, AND PHARMACEUTICAL AND COSMETIC COMPOSITIONS CONTAINING THEM SOAT1, SOAT2, ODC1 BDKRB2 3914/4885AR 3391/4885OPRM1 3412/4885

“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.