SCHEMBL5566701

SCHEMBL5566701

CCOc1cc2c(cc1C(F)(F)F)NC(=O)CC(c1cccc(-c3ccnc(CC(C)C)c3)c1)=N2

nearest known ligand 0.79

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 3/20 0.79
CYP3A4 P08684 2/20 0.60

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
SCHEMBL5563036 0.92 GRM2 (0.84) GRM2CYP3A4
SCHEMBL5562046 0.90 GRM2 (0.81) GRM2CYP3A4
SCHEMBL5564931 0.90 GRM2 (0.81) GRM2CYP3A4
SCHEMBL6477868 0.88 CYP3A4 (0.77) GRM2CYP3A4
SCHEMBL5558834 0.88 GRM2 (1.00) GRM2CYP3A4
SCHEMBL5563010 0.88 GRM2 (0.84) GRM2CYP3A4
SCHEMBL5562724 0.88 GRM2 (1.00) GRM2CYP3A4
SCHEMBL5562616 0.87 GRM2 (0.63) GRM2CYP3A4
SCHEMBL5558562 0.86 GRM2 (0.74) GRM2CYP3A4
SCHEMBL5564085 0.85 GRM2 (0.79) GRM2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1474416-B1 DIHYDROBENZODIAZEPIN-2-ONE-DERIVATIVES FOR THE TREATMENT OF NEUROLOGICAL DISORDERS HOFFMANN LA ROCHE (CH) 2007-09-26 EP disclosed
US-6949542-B2 Dihydro-benzo[b][1,4]diazepin-2-one derivatives HOFFMAN-LA ROCHE INC. (US) 2005-09-27 US disclosed
US-20030166639-A1 Dihydro-benzo[b][1,4]diazepin-2-one derivatives F. HOFFMAN-LA ROCHE AG (CH) 2003-09-04 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-20030166639-A1 Dihydro-benzo[b][1,4]diazepin-2-one derivatives CYP1B1, GRIN2B, CYP4B1 GRM2 140/4885CYP3A4 188/4885

“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.