SCHEMBL29538299

SCHEMBL29538299

COc1cnc(C#N)cc1CNC(=O)c1ccc(OC(F)(F)F)cc1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PPARA Q07869 3/20 0.55
▸ PPARD Q03181 2/20 0.55
▸ PPARG P37231 2/20 0.55
▸ EPHX2 P34913 7/20 0.48
▸ NR1H4 Q96RI1 2/20 0.48
▸ ROCK2 O75116 2/20 0.45
▸ ROCK1 Q13464 2/20 0.45
▸ HPGD P15428 1/20 0.45
▸ TRPV1 Q8NER1 2/20 0.45
▸ VNN1 O95497 1/20 0.44
▸ ABL1 P00519 1/20 0.43
▸ MAPK8 P45983 1/20 0.43
▸ MAPK9 P45984 1/20 0.43
▸ MAPK10 P53779 1/20 0.43

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
SCHEMBL24060169 0.83 PPARD (0.55) PPARAPPARDPPARGEPHX2ROCK2
SCHEMBL24268607 0.79 SCN3A (0.43) PPARAPPARDPPARGEPHX2ROCK2
SCHEMBL20272048 0.79 EPHX2 (0.52) PPARAPPARDPPARGEPHX2NR1H4
SCHEMBL27220646 0.78 PPARG (0.56) PPARAPPARDPPARGEPHX2NR1H4
SCHEMBL29538410 0.75 MAPK8 (0.39) PPARAPPARDPPARGEPHX2ROCK2
SCHEMBL24060151 0.75 MAPK8 (0.39) PPARAPPARDPPARGEPHX2ROCK2
SCHEMBL27188864 0.74 EPHX2 (0.52) PPARAPPARDPPARGEPHX2NR1H4
SCHEMBL29896128 0.74 EPHX2 (0.52) PPARAPPARDPPARGEPHX2NR1H4
SCHEMBL24268595 0.74 PPARD (0.47) PPARAPPARDPPARGEPHX2ROCK2
SCHEMBL21045704 0.73 AR (0.42) ABL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12637418-B2 Heterocyclic compounds as antagonist of NMDA TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2026-05-26 — — US disclosed
US-20220089525-A1 HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2022-03-24 — — 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 (2 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-20220089525-A1 HETEROCYCLIC COMPOUND AND USE THEREOF GRIN1, GRIN2B, GRIN2A PPARA 1157/4885PPARD 1074/4885PPARG 1014/4885
US-12637418-B2 Heterocyclic compounds as antagonist of NMDA GRIN1, GRIN3A, GRIN2A PPARA 1554/4885PPARD 2118/4885PPARG 1226/4885

“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.

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