Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BRD4 | O60885 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 4/20 | 0.39 |
| ▸ | EPHX2 | P34913 | 2/20 | 0.38 |
| ▸ | NR1H2 | P55055 | 2/20 | 0.37 |
| ▸ | GAA | P10253 | 2/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.36 |
| ▸ | MGAM | O43451 | 1/20 | 0.36 |
| ▸ | SI | P14410 | 1/20 | 0.36 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | EGFR | P00533 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL17891872 | 1.00 | BRD4 (0.44) | BRD4TSHREPHX2NR1H2GAA | |
| SCHEMBL338176 | 1.00 | BRD4 (0.44) | BRD4TSHREPHX2NR1H2GAA | |
| SCHEMBL22526606 | 0.83 | BRD4 (0.44) | BRD4TSHREPHX2NR1H2GAA | |
| SCHEMBL28529026 | 0.83 | BRD4 (0.44) | BRD4TSHREPHX2NR1H2GAA | |
| SCHEMBL10248813 | 0.83 | BRD4 (0.44) | BRD4TSHRNR1H2GAAHSD17B10 | |
| SCHEMBL1969174 | 0.83 | BRD4 (0.44) | BRD4TSHREPHX2NR1H2GAA | |
| SCHEMBL337633 | 0.83 | BRD4 (0.44) | BRD4TSHREPHX2NR1H2GAA | |
| SCHEMBL25010679 | 0.81 | BRD4 (0.43) | BRD4TSHREPHX2NR1H2GAA | |
| SCHEMBL761598 | 0.80 | BRD4 (0.46) | BRD4TSHREPHX2NR1H2GAA | |
| SCHEMBL757704 | 0.80 | BRD4 (0.46) | BRD4TSHREPHX2NR1H2GAA |
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-2675798-B1 | NOVEL BENZODIOXOLE PIPERAZINE COMPOUNDS | HOFFMANN LA ROCHE (CH) | 2015-07-01 | — | — | EP | disclosed |
| US-8722683-B2 | Benzodioxole piperazine compounds | HOFFMANN LA-ROCHE INC. (US) | 2014-05-13 | — | — | US | disclosed |
| EP-2675798-A1 | NOVEL BENZODIOXOLE PIPERAZINE COMPOUNDS | F.HOFFMANN-LA ROCHE AG (CH) | 2013-12-25 | — | — | EP | disclosed |
| EP-2334657-B1 | PIPERAZINE D3 AND 5-HT2A RECEPTOR MODULATORS | HOFFMANN LA ROCHE (CH) | 2013-03-06 | — | — | EP | disclosed |
| EP-2334657-B1 | PIPERAZINE D3 AND 5-HT2A RECEPTOR MODULATORS | HOFFMANN LA ROCHE (CH) | 2013-03-06 | — | — | EP | disclosed |
| US-20130040948-A1 | NOVEL BENZODIOXOLE PIPERAZINE COMPOUNDS | F. HOFFMANN-LA ROCHE AG (CH) | 2013-02-14 | — | — | US | disclosed |
| WO-2012110470-A1 | NOVEL BENZODIOXOLE PIPERAZINE COMPOUNDS | F. HOFFMANN-LA ROCHE AG (CH) | 2012-08-23 | — | — | WO | disclosed |
| EP-2334657-A1 | PIPERAZINE D3 AND 5-HT2A RECEPTOR MODULATORS | F. Hoffmann-La Roche AG (CH) | 2011-06-22 | — | — | EP | disclosed |
| US-7858630-B2 | D3 and 5-HT2A receptor modulators | HOFFMANN-LA ROCHE INC. (US) | 2010-12-28 | — | — | US | disclosed |
| US-7858630-B2 | D3 and 5-HT2A receptor modulators | HOFFMANN-LA ROCHE INC. (US) | 2010-12-28 | — | — | US | disclosed |
| US-20100075983-A1 | D3 AND 5-HT2A RECEPTOR MODULATORS | HOFFMANN-LA ROCHE, INC. | 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-2010031735-A1 | PIPERAZINE D3 AND 5-HT2A RECEPTOR MODULATORS | F. HOFFMANN-LA ROCHE AG (CH) | 2010-03-25 | — | — | WO | 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 (2 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-20130040948-A1 | NOVEL BENZODIOXOLE PIPERAZINE COMPOUNDS | HTR2A, HTR2C, HTR5A | BRD4 573/4885TSHR 278/4885EPHX2 497/4885 |
| US-20100075983-A1 | D3 AND 5-HT2A RECEPTOR MODULATORS | HTR2A, HTR3A, HTR1A | BRD4 1455/4885TSHR 162/4885EPHX2 2371/4885 |
“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.