Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 4/20 | 0.43 |
| ▸ | CES1 | P23141 | 4/20 | 0.43 |
| ▸ | ERN1 | O75460 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.37 |
| ▸ | LMNA | P02545 | 2/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | GRIN2D | O15399 | 2/20 | 0.35 |
| ▸ | GRIN3B | O60391 | 2/20 | 0.35 |
| ▸ | GRIN1 | Q05586 | 2/20 | 0.35 |
| ▸ | GRIN2A | Q12879 | 2/20 | 0.35 |
| ▸ | GRIN2B | Q13224 | 2/20 | 0.35 |
| ▸ | GRIN2C | Q14957 | 2/20 | 0.35 |
| ▸ | GRIN3A | Q8TCU5 | 2/20 | 0.35 |
| ▸ | ACHE | P22303 | 2/20 | 0.34 |
| ▸ | USP2 | O75604 | 1/20 | 0.33 |
| ▸ | MAOA | P21397 | 1/20 | 0.32 |
| ▸ | MAOB | P27338 | 1/20 | 0.32 |
| ▸ | LOX | P28300 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 2/20 | 0.32 |
| ▸ | MAPT | P10636 | 2/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL1710574 | 1.00 | CES2 (0.43) | CES2CES1ERN1ALDH1A1LMNA | |
| SCHEMBL12631930 | 1.00 | CES2 (0.43) | CES2CES1ERN1ALDH1A1LMNA | |
| SCHEMBL28411814 | 0.82 | ALDH1A1 (0.35) | CES2CES1ALDH1A1LMNAL3MBTL1 | |
| Hydrochloric Acid SCHEMBL28406801 | 0.80 | ALDH1A1 (0.34) | CES2CES1ALDH1A1LMNAL3MBTL1 | |
| SCHEMBL28250402 | 0.79 | MAPT (0.35) | ERN1ALDH1A1LMNAL3MBTL1ACHE | |
| SCHEMBL29583421 | 0.79 | ERN1 (0.38) | CES2CES1ERN1ALDH1A1LMNA | |
| SCHEMBL31599948 | 0.79 | HPGD (0.40) | ERN1ALDH1A1LMNAL3MBTL1ACHE | |
| SCHEMBL31539751 | 0.78 | CES2 (0.39) | CES2CES1ERN1GRIN2DGRIN3B | |
| SCHEMBL23850338 | 0.75 | KMT2A (0.43) | ERN1ALDH1A1LMNAL3MBTL1USP2 | |
| SCHEMBL28403114 | 0.75 | ACHE (0.38) | CES2CES1ERN1ALDH1A1LMNA |
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.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2344482-B1 | BENZO[D]ISOXAZOL-3-YL-PIPERAZIN DERIVATIVES USEFUL AS MODULATORS OF DOPAMINE D3 RECEPTORS | HOFFMANN LA ROCHE (CH) | 2012-08-15 | — | — | EP | disclosed |
| EP-2344482-A1 | BENZO[D]ISOXAZOL-3-YL-PIPERAZIN DERIVATIVES USEFUL AS MODULATORS OF DOPAMINE D3 RECEPTORS | F. Hoffmann-La Roche AG (CH) | 2011-07-20 | — | — | EP | disclosed |
| US-7939535-B2 | Benzo[D]isoxazol-3-yl-piperazin derivatives useful as modulators of dopamine D3 receptors | HOFFMAN-LA ROCHE INC. (US) | 2011-05-10 | — | — | US | disclosed |
| WO-2010034646-A1 | BENZO[D]ISOXAZOL-3-YL-PIPERAZIN DERIVATIVES USEFUL AS MODULATORS OF DOPAMINE D3 RECEPTORS | F. HOFFMANN-LA ROCHE AG (CH) | 2010-04-01 | — | — | WO | disclosed |
| US-20100075985-A1 | BENZO[D]ISOXAZOL-3-YL-PIPERAZIN DERIVATIVES USEFUL AS MODULATORS OF DOPAMINE D3 RECEPTORS | F. HOFFMAN-LA ROCHE AG, A SWISS COMPANY (CH) | 2010-03-25 | — | — | 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-20100075985-A1 | BENZO[D]ISOXAZOL-3-YL-PIPERAZIN DERIVATIVES USEFUL AS MODULATORS OF DOPAMINE D3 RECEPTORS | DRD3, DRD2, DRD1 | CES2 1889/4885CES1 3067/4885ERN1 4319/4885 |
“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.