Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.56 |
| ▸ | GRM2 | Q14416 | 2/20 | 0.51 |
| ▸ | CYP3A4 | P08684 | 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.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL5557395 | 0.87 | GRM2 (0.68) | GRM2 | |
| SCHEMBL5563520 | 0.85 | GRM2 (0.49) | NPC1ALDH1A1GRM2CYP3A4 | |
| SCHEMBL5558621 | 0.84 | CYP3A4 (0.65) | NPC1ALDH1A1GRM2CYP3A4 | |
| SCHEMBL5559786 | 0.84 | GRM2 (0.65) | NPC1ALDH1A1GRM2 | |
| SCHEMBL5562258 | 0.83 | GRM2 (0.75) | GRM2CYP3A4 | |
| SCHEMBL5562624 | 0.82 | CYP3A4 (0.49) | GRM2CYP3A4 | |
| SCHEMBL5563782 | 0.82 | GRM2 (0.67) | NPC1ALDH1A1GRM2CYP3A4 | |
| SCHEMBL5557459 | 0.82 | CYP3A4 (0.73) | GRM2CYP3A4 | |
| SCHEMBL5556884 | 0.79 | GRM2 (0.64) | GRM2CYP3A4 | |
| SCHEMBL5869527 | 0.75 | GRM2 (0.52) | 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.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20030166639-A1 | Dihydro-benzo[b][1,4]diazepin-2-one derivatives | CYP1B1, GRIN2B, CYP4B1 | NPC1 1530/4885ALDH1A1 314/4885GRM2 140/4885 |
“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.