SCHEMBL838707

SCHEMBL838707

O=C1CN(Cc2ccc(-c3cccc(CNC4CCOCC4)n3)cc2)C(=O)N1CC(F)(F)F

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TRPV3 Q8NET8 6/20 0.38
MAPK1 P28482 4/20 0.36
MAPK3 P27361 1/20 0.36
SCN9A Q15858 4/20 0.36
IL6 P05231 1/20 0.35
TLR7 Q9NYK1 1/20 0.35
OPRM1 P35372 2/20 0.35
OPRK1 P41145 2/20 0.35
MTOR P42345 1/20 0.34
PRKD1 Q15139 1/20 0.33
TGFBR1 P36897 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
SCHEMBL838711 0.86 PRKD1 (0.37) MAPK1MAPK3IL6TLR7OPRM1
SCHEMBL840103 0.86 MAPK1 (0.40) TRPV3MAPK1MAPK3OPRM1OPRK1
SCHEMBL2005342 0.83 HTR5A (0.41) MAPK1MAPK3OPRM1OPRK1MTOR
SCHEMBL840720 0.83 ENPP2 (0.46) TRPV3MAPK1MAPK3SCN9AIL6
SCHEMBL2004612 0.79 PARP1 (0.43) MAPK1MAPK3OPRM1OPRK1MTOR
SCHEMBL839962 0.78 HRH3 (0.41) SCN9A
SCHEMBL2004457 0.75 PARP1 (0.39) MAPK1MAPK3MTOR
SCHEMBL2004454 0.75 PARP1 (0.39) MAPK1MAPK3MTOR
SCHEMBL2005526 0.75 PARP1 (0.39) MAPK1MAPK3MTOR
SCHEMBL840721 0.74 MAPK1 (0.40) TRPV3MAPK1MAPK3IL6TLR7

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-8143246-B2 1-(4-(pyridin-2-yl)benzyl)imidazolidine-2,4-dione derivatives MSD OSS B.V. (NL) 2012-03-27 US claimed
US-20100144724-A1 1-(4-(PYRIDIN-2-YL)BENZYL)IMIDAZOLIDINE-2,4-DIONE DERIVATIVES N.V.ORGANON 2010-06-10 US claimed
US-8143246-B2 1-(4-(pyridin-2-yl)benzyl)imidazolidine-2,4-dione derivatives MSD OSS B.V. (NL) 2012-03-27 US disclosed
US-20100144724-A1 1-(4-(PYRIDIN-2-YL)BENZYL)IMIDAZOLIDINE-2,4-DIONE DERIVATIVES N.V.ORGANON 2010-06-10 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-20100144724-A1 1-(4-(PYRIDIN-2-YL)BENZYL)IMIDAZOLIDINE-2,4-DIONE DERIVATIVES OPRD1, CNR1, CNR2 TRPV3 627/4885MAPK1 2519/4885MAPK3 1493/4885

“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.