SCHEMBL2263299

SCHEMBL2263299

CC(=O)NCc1c(C(F)(F)F)cc(-c2ccccc2)n(Cc2ccccc2)c1=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.42
PPARG P37231 3/20 0.41
EPHX2 P34913 2/20 0.41
ITGB1 P05556 1/20 0.41
ITGA4 P13612 1/20 0.41
ITGB7 P26010 1/20 0.41
GFER P55789 1/20 0.39
POLB P06746 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
EGLN1 Q9GZT9 1/20 0.39
TRPV4 Q9HBA0 1/20 0.38
AR P10275 1/20 0.38
GRIK1 P39086 1/20 0.37
GRIA1 P42261 1/20 0.37
GRIA2 P42262 1/20 0.37
GRIA3 P42263 1/20 0.37
GRIA4 P48058 1/20 0.37
GRIK2 Q13002 1/20 0.37
GRIK3 Q13003 1/20 0.37
GRIK4 Q16099 1/20 0.37

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
SCHEMBL2266394 0.89 MTNR1A (0.43) CNR1PPARGEPHX2ITGB1ITGA4
SCHEMBL2263399 0.89 PPARG (0.41) CNR1PPARGEPHX2ITGB1ITGA4
SCHEMBL2266775 0.88 ALDH1A1 (0.44) CNR1PPARGEPHX2POLBRXFP1
SCHEMBL2262250 0.88 EPHX2 (0.48) PPARGEPHX2POLBRXFP1GRIK1
SCHEMBL2263963 0.88 L3MBTL1 (0.43) CNR1PPARGEPHX2ITGB1ITGA4
SCHEMBL2263570 0.87 TP53 (0.43) CNR1PPARGEPHX2ITGB1ITGA4
SCHEMBL14944146 0.85 NPC1 (0.39) CNR1PPARGEPHX2ITGB1ITGA4
SCHEMBL12390328 0.85 CNR1 (0.44) CNR1PPARGEPHX2ITGB1ITGA4
SCHEMBL12366594 0.80 CNR1 (0.45) CNR1PPARGITGB1ITGA4ITGB7
Hydrochloric Acid SCHEMBL2262638 0.79 CNR1 (0.44) CNR1PPARGITGB1ITGA4ITGB7

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-7998986-B2 Heterocyclic compounds, in particular N-substituted pyridones for modulating the activity of nuclear receptors EXELIXIS PATENT COMPANY LLC (US) 2011-08-16 US disclosed
US-7998986-B2 Heterocyclic compounds, in particular N-substituted pyridones for modulating the activity of nuclear receptors EXELIXIS PATENT COMPANY LLC (US) 2011-08-16 US disclosed
US-7998986-B2 Heterocyclic compounds, in particular N-substituted pyridones for modulating the activity of nuclear receptors EXELIXIS PATENT COMPANY LLC (US) 2011-08-16 US disclosed
US-20030181420-A1 Heterocyclic compounds, in particular N-substituted pyridones for modulating the activity of nuclear receptors EXELIXIS, INC. 2003-09-25 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-20030181420-A1 Heterocyclic compounds, in particular N-substituted pyridones for modulating the activity of nuclear receptors NR1H2, NR1H3, NCOA1 CNR1 36/4885PPARG 25/4885EPHX2 1951/4885

“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.