SCHEMBL5557790

SCHEMBL5557790

Cc1cc(-c2cccc(C3=Nc4cc(N(C)CC(C)C)c(Cl)cc4NC(=O)C3)c2)cc(C)n1

nearest known ligand 0.58

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 6/20 0.58
CYP3A4 P08684 3/20 0.58
GRM3 Q14832 1/20 0.58

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
SCHEMBL5563704 0.87 CYP3A4 (0.70) GRM2CYP3A4GRM3
SCHEMBL6168265 0.86 GRM2 (0.51) GRM2CYP3A4GRM3
SCHEMBL5557071 0.85 GRM2 (0.57) GRM2CYP3A4
SCHEMBL5557800 0.84 GRM2 (0.80) GRM2CYP3A4GRM3
SCHEMBL6163335 0.83 GRM2 (0.47) GRM2CYP3A4GRM3
SCHEMBL6165964 0.82 GRM2 (0.44) GRM2CYP3A4GRM3
SCHEMBL5562802 0.82 GRM2 (0.73) GRM2CYP3A4GRM3
SCHEMBL7221643 0.81 GRM2 (0.45) GRM2CYP3A4GRM3
SCHEMBL6165350 0.81 CYP3A4 (0.55) CYP3A4
SCHEMBL6167326 0.80 GRM2 (0.43) GRM2

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 188/4885GRM3 164/4885

“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.