SCHEMBL13341997

SCHEMBL13341997

CCCc1nc(C)c(-c2ccc(OC(C)(C)CO[Si](C)(C)C(C)(C)C)nc2)c(=O)n1Cc1ccc(-c2ccccc2C#N)cc1F

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.36
GRIN1 Q05586 5/20 0.34
GRIN2B Q13224 5/20 0.34
MAPK14 Q16539 1/20 0.34
AGTR1 P30556 9/20 0.34
AGTR2 P50052 8/20 0.34

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
SCHEMBL1888747 0.91 PPARG (0.37) PPARGAGTR1AGTR2
SCHEMBL13368323 0.90 PPARG (0.39) PPARGGRIN1GRIN2BMAPK14AGTR1
SCHEMBL1889960 0.84 PPARG (0.40) PPARGGRIN1GRIN2BMAPK14AGTR1
SCHEMBL1891901 0.83 AGTR1 (0.39) PPARGAGTR1AGTR2
SCHEMBL1894764 0.83 PPARG (0.39) PPARGGRIN1GRIN2BMAPK14AGTR1
SCHEMBL1899885 0.81 PPARG (0.42) PPARGMAPK14AGTR1AGTR2
SCHEMBL12357042 0.80 PPARG (0.41) PPARGAGTR1AGTR2
SCHEMBL2842851 0.77 AGTR1 (0.44) PPARGAGTR1AGTR2
SCHEMBL4011619 0.77 AGTR1 (0.42) PPARGAGTR1AGTR2
SCHEMBL1890409 0.76 PPARG (0.46) PPARGGRIN1GRIN2BMAPK14AGTR1

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-20100113780-A1 HETEROMONOCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED 2010-05-06 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-20100113780-A1 HETEROMONOCYCLIC COMPOUND AND USE THEREOF C1R, C1S, C3AR1 PPARG 3043/4885GRIN1 409/4885GRIN2B 850/4885

“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.