SCHEMBL2319166

SCHEMBL2319166

CC(C)CNc1cc2c(cc1C(F)(F)F)NC(=O)CC(c1cccc(-c3ccc(S(=O)(=O)NC(C)(C)C)cc3)c1)=N2

nearest known ligand 0.64

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.53
GRM2 Q14416 3/20 0.51
GRM3 Q14832 1/20 0.49

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
SCHEMBL2318944 0.95 CYP3A4 (0.52) CYP3A4GRM2GRM3
SCHEMBL4554423 0.93 CYP3A4 (0.50) CYP3A4GRM2GRM3
SCHEMBL2318274 0.90 CYP3A4 (0.56) CYP3A4GRM2GRM3
SCHEMBL4554318 0.87 CYP3A4 (0.49) CYP3A4GRM2GRM3
SCHEMBL6478448 0.86 CYP3A4 (0.71) CYP3A4GRM2
SCHEMBL2317857 0.86 CYP3A4 (0.54) CYP3A4GRM2GRM3
SCHEMBL2322977 0.85 CYP3A4 (0.50) CYP3A4GRM2GRM3
SCHEMBL2318475 0.83 CYP3A4 (0.55) CYP3A4GRM2GRM3
SCHEMBL5558276 0.83 GRM2 (0.71) CYP3A4GRM2GRM3
SCHEMBL2318291 0.83 GRM2 (0.72) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2137167-B1 DIHYDRO-BENZO[B][1,4]DIAZEPIN-2-ONE SULFONAMIDE DERIVATIVES HOFFMANN LA ROCHE (CH) 2011-08-10 EP disclosed
EP-2137167-A1 DIHYDRO-BENZO[B][1,4]DIAZEPIN-2-ONE SULFONAMIDE DERIVATIVES F. Hoffmann-Roche AG (CH) 2009-12-30 EP disclosed
US-7511033-B2 Dihydro-benzo[B][1,4]diazepin-2-one sulfonamide derivatives HOFFMANN-LA ROCHE INC. (US) 2009-03-31 US disclosed
WO-2008128889-A1 DIHYDRO-BENZO[B][1,4]DIAZEPIN-2-ONE SULFONAMIDE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2008-10-30 WO disclosed
US-20080261957-A1 DIHYDRO-BENZO[B][1,4]DIAZEPIN-2-ONE SULFONAMIDE DERIVATIVES HOFFMANN-LA ROCHE, INC. 2008-10-23 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-20080261957-A1 DIHYDRO-BENZO[B][1,4]DIAZEPIN-2-ONE SULFONAMIDE DERIVATIVES SULT2A1, SULT1A1, CNR1 CYP3A4 251/4885GRM2 69/4885GRM3 167/4885

“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.