Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BRD4 | O60885 | 1/20 | 0.43 |
| ▸ | GRM1 | Q13255 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 3/20 | 0.37 |
| ▸ | KCNQ3 | O43525 | 2/20 | 0.36 |
| ▸ | KCNQ2 | O43526 | 2/20 | 0.36 |
| ▸ | EPHX2 | P34913 | 4/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
| ▸ | MGAM | O43451 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | SI | P14410 | 1/20 | 0.34 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.34 |
| ▸ | DAO | P14920 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | NAMPT | P43490 | 1/20 | 0.33 |
| ▸ | MAOA | P21397 | 1/20 | 0.32 |
| ▸ | MAOB | P27338 | 1/20 | 0.32 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.32 |
| ▸ | DRD2 | P14416 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL10086748 | 1.00 | BRD4 (0.43) | BRD4GRM1TSHRKCNQ3KCNQ2 | |
| SCHEMBL337842 | 1.00 | BRD4 (0.43) | BRD4GRM1TSHRKCNQ3KCNQ2 | |
| SCHEMBL24197361 | 0.89 | BRD4 (0.50) | BRD4TSHREPHX2HSD17B10MGAM | |
| SCHEMBL26647720 | 0.89 | BRD4 (0.50) | BRD4TSHREPHX2HSD17B10MGAM | |
| SCHEMBL2036054 | 0.89 | — | — | |
| SCHEMBL322206 | 0.88 | BRD4 (0.41) | BRD4GRM1TSHRKCNQ3KCNQ2 | |
| SCHEMBL322204 | 0.88 | BRD4 (0.41) | BRD4GRM1TSHRKCNQ3KCNQ2 | |
| SCHEMBL322205 | 0.88 | BRD4 (0.41) | BRD4GRM1TSHRKCNQ3KCNQ2 | |
| SCHEMBL10086737 | 0.88 | BRD4 (0.41) | BRD4GRM1TSHRKCNQ3KCNQ2 | |
| Ammonia Solution, Strong SCHEMBL27687914 | 0.87 | — | — |
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 14 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2334657-B1 | PIPERAZINE D3 AND 5-HT2A RECEPTOR MODULATORS | HOFFMANN LA ROCHE (CH) | 2013-03-06 | — | — | EP | disclosed |
| 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 |
| US-8097637-B2 | Benzoyl-piperidine derivatives as dual modulators of the 5-HT2A and D3 receptors | HOFFMANN-LA ROCHE INC. (US) | 2012-01-17 | — | — | US | disclosed |
| EP-2334657-A1 | PIPERAZINE D3 AND 5-HT2A RECEPTOR MODULATORS | F. Hoffmann-La Roche AG (CH) | 2011-06-22 | — | — | EP | disclosed |
| EP-2185513-B1 | BENZOYL-PIPERIDINE DERIVATIVES AS DUAL MODULATORS OF THE 5-HT2A AND D3 RECEPTORS | HOFFMANN LA ROCHE (CH) | 2011-06-08 | — | — | 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 |
| US-7858630-B2 | D3 and 5-HT2A receptor modulators | HOFFMANN-LA ROCHE INC. (US) | 2010-12-28 | — | — | US | disclosed |
| EP-2185513-A1 | BENZOYL-PIPERIDINE DERIVATIVES AS DUAL MODULATORS OF THE 5-HT2A AND D3 RECEPTORS | F. Hoffmann-Roche AG (CH) | 2010-05-19 | — | — | EP | 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 |
| US-20100075983-A1 | D3 AND 5-HT2A RECEPTOR MODULATORS | HOFFMANN-LA ROCHE, INC. | 2010-03-25 | — | — | US | disclosed |
| WO-2010031735-A1 | PIPERAZINE D3 AND 5-HT2A RECEPTOR MODULATORS | F. HOFFMANN-LA ROCHE AG (CH) | 2010-03-25 | — | — | WO | disclosed |
| WO-2009019174-A1 | BENZOYL-PIPERIDINE DERIVATIVES AS DUAL MODULATORS OF THE 5-HT2A AND D3 RECEPTORS | F. HOFFMANN-LA ROCHE AG (CH) | 2009-02-12 | — | — | WO | disclosed |
| WO-2009019174-A1 | BENZOYL-PIPERIDINE DERIVATIVES AS DUAL MODULATORS OF THE 5-HT2A AND D3 RECEPTORS | F. HOFFMANN-LA ROCHE AG (CH) | 2009-02-12 | — | — | WO | disclosed |
| US-20090042943-A1 | BENZOYL-PIPERIDINE DERIVATIVES AS DUAL MODULATORS OF THE 5-HT2A AND D3 RECEPTORS | HOFFMANN-LA ROCHE, INC. | 2009-02-12 | — | — | 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 (3 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-20090042943-A1 | BENZOYL-PIPERIDINE DERIVATIVES AS DUAL MODULATORS OF THE 5-HT2A AND D3 RECEPTORS | HTR2A, HTR3A, HTR5A | BRD4 513/4885GRM1 80/4885TSHR 256/4885 |
| US-20100075985-A1 | BENZO[D]ISOXAZOL-3-YL-PIPERAZIN DERIVATIVES USEFUL AS MODULATORS OF DOPAMINE D3 RECEPTORS | DRD3, DRD2, DRD1 | BRD4 506/4885GRM1 144/4885TSHR 221/4885 |
| US-20100075983-A1 | D3 AND 5-HT2A RECEPTOR MODULATORS | HTR2A, HTR3A, HTR1A | BRD4 1455/4885GRM1 78/4885TSHR 162/4885 |
“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.