Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LIPE | Q05469 | 1/20 | 0.34 |
| ▸ | CHRM2 | P08172 | 4/20 | 0.32 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.32 |
| ▸ | CHRM5 | P08912 | 2/20 | 0.32 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.32 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.32 |
| ▸ | CHRM4 | P08173 | 2/20 | 0.30 |
| ▸ | KCNN4 | O15554 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL734786 | 1.00 | LIPE (0.34) | LIPECHRM2CHRM1CHRM5MCHR1 | |
| SCHEMBL734787 | 1.00 | LIPE (0.34) | LIPECHRM2CHRM1CHRM5MCHR1 | |
| SCHEMBL734823 | 0.92 | LIPE (0.34) | LIPECHRM2CHRM5MCHR1 | |
| SCHEMBL734822 | 0.92 | LIPE (0.34) | LIPECHRM2CHRM5MCHR1 | |
| SCHEMBL734792 | 0.87 | DRD2 (0.40) | LIPECHRM2CHRM1MCHR1CHRM4 | |
| SCHEMBL734390 | 0.87 | DRD2 (0.40) | LIPECHRM2CHRM1MCHR1CHRM4 | |
| SCHEMBL735583 | 0.87 | DRD2 (0.40) | LIPECHRM2CHRM1MCHR1CHRM4 | |
| SCHEMBL734391 | 0.87 | DRD2 (0.40) | LIPECHRM2CHRM1MCHR1CHRM4 | |
| SCHEMBL735558 | 0.87 | AR (0.37) | — | |
| SCHEMBL733466 | 0.87 | AR (0.37) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8138175-B2 | Heterocyclyl compounds | HOFFMANN-LA ROCHE INC. (US) | 2012-03-20 | — | — | US | disclosed |
| EP-2321285-A1 | DIAZEPAN AND PIPERAZINE DERIVATIVES MODULATORS OF CHEMOKINE RECEPTORS | F. Hoffmann-La Roche AG (CH) | 2011-05-18 | — | — | EP | disclosed |
| WO-2010012619-A1 | DIAZEPAN AND PIPERAZINE DERIVATIVES MODULATORS OF CHEMOKINE RECEPTORS | F. HOFFMANN-LA ROCHE AG (CH) | 2010-02-04 | — | — | WO | disclosed |
| US-20100022518-A1 | NOVEL HETEROCYCLYL COMPOUNDS | HOFFMANN-LA ROCHE, INC. | 2010-01-28 | — | — | 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-20100022518-A1 | NOVEL HETEROCYCLYL COMPOUNDS | CCR2, CCR3, CCR5 | LIPE 4795/4885CHRM2 65/4885CHRM1 67/4885 |
“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.