SCHEMBL29709236

SCHEMBL29709236

Cc1cc2c(cc1C(F)(F)F)NC(=O)CC=N2

nearest known ligand 0.50

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 4/20 0.50
GRM2 Q14416 2/20 0.48
GRM3 Q14832 1/20 0.47

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
SCHEMBL5606733 0.74 GRM2 (0.49) GRM2
SCHEMBL29446495 0.74 GRM2 (0.49) GRM2
SCHEMBL15368158 0.73 CYP3A4 (0.33) CYP3A4GRM2GRM3
SCHEMBL19203383 0.68 CYP3A4 (0.41) CYP3A4GRM2GRM3
SCHEMBL5558359 0.68 CYP3A4 (1.00) CYP3A4GRM2GRM3
SCHEMBL5563167 0.67 CYP3A4 (0.77) CYP3A4GRM2
SCHEMBL29446492 0.67 CYP3A4 (0.74) CYP3A4GRM2GRM3
SCHEMBL17348236 0.67 CYP3A4 (0.74) CYP3A4GRM2GRM3
SCHEMBL17336828 0.67 CYP3A4 (0.74) CYP3A4GRM2GRM3
SCHEMBL5558255 0.66 CYP3A4 (0.82) CYP3A4GRM2GRM3

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-20220211658-A1 METHODS FOR TREATING DISORDERS ASSOCIATED WITH SLEEP SPINDLE DEFICITS THE BROAD INSTITUTE, INC. (US) 2022-07-07 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-20220211658-A1 METHODS FOR TREATING DISORDERS ASSOCIATED WITH SLEEP SPINDLE DEFICITS HCRTR2, GRIN2A, GRM2 CYP3A4 4478/4885GRM2 3/4885GRM3 10/4885

“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.