Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 6/20 | 0.45 |
| ▸ | ESR2 | Q92731 | 6/20 | 0.45 |
| ▸ | IP6K1 | Q92551 | 6/20 | 0.43 |
| ▸ | IP6K3 | Q96PC2 | 6/20 | 0.43 |
| ▸ | IP6K2 | Q9UHH9 | 6/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | TP53 | P04637 | 1/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.43 |
| ▸ | TTR | P02766 | 2/20 | 0.42 |
| ▸ | RAB9A | P51151 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | PKM | P14618 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.39 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL935151 | 0.88 | ESR1 (0.44) | ESR1ESR2IP6K1HSD17B10RAB9A | |
| SCHEMBL933527 | 0.80 | ESR1 (0.44) | ESR1ESR2HSP90AA1 | |
| SCHEMBL6712641 | 0.80 | ESR1 (0.44) | ESR1ESR2RAB9AMEN1KMT2A | |
| SCHEMBL6711117 | 0.80 | ESR1 (0.44) | ESR1ESR2ALDH1A1KMT2AHSP90AA1 | |
| SCHEMBL26982067 | 0.80 | ESR1 (0.44) | ESR1ESR2ALDH1A1RAB9AMEN1 | |
| SCHEMBL6711107 | 0.78 | ESR1 (0.50) | ESR1ESR2MEN1KMT2AHSP90AA1 | |
| SCHEMBL7561119 | 0.76 | EPHX2 (0.45) | ESR1ESR2ALDH1A1RAB9AHSP90AA1 | |
| SCHEMBL2558291 | 0.74 | TTR (0.50) | ALDH1A1TTRRAB9AMEN1KMT2A | |
| SCHEMBL30204302 | 0.72 | IP6K1 (0.52) | ESR1ESR2IP6K1IP6K3IP6K2 | |
| SCHEMBL2476493 | 0.72 | ESR1 (0.36) | ESR1ESR2ALDH1A1MEN1KMT2A |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8637551-B2 | 2-(1,2-benzisoxazol-3-yl)benzylamine derivatives | MERCK SHARP & DOHME B.V. (NL) | 2014-01-28 | — | — | US | disclosed |
| US-8637551-B2 | 2-(1,2-benzisoxazol-3-yl)benzylamine derivatives | MERCK SHARP & DOHME B.V. (NL) | 2014-01-28 | — | — | US | disclosed |
| US-8637551-B2 | 2-(1,2-benzisoxazol-3-yl)benzylamine derivatives | MERCK SHARP & DOHME B.V. (NL) | 2014-01-28 | — | — | US | disclosed |
| EP-2473489-B1 | 2-(1,2-BENZISOXAZOL-3-YL)BENZYLAMINE DERIVATIVES | MERCK SHARP & DOHME (NL) | 2013-08-21 | — | — | EP | disclosed |
| EP-2473489-B1 | 2-(1,2-BENZISOXAZOL-3-YL)BENZYLAMINE DERIVATIVES | MERCK SHARP & DOHME (NL) | 2013-08-21 | — | — | EP | disclosed |
| US-20130023566-A1 | 2-(1,2-BENZISOXAZOL-3-YL)BENZYLAMINE DERIVATIVES | N.V. ORGANON (NL) | 2013-01-24 | — | — | US | disclosed |
| US-20130023566-A1 | 2-(1,2-BENZISOXAZOL-3-YL)BENZYLAMINE DERIVATIVES | N.V. ORGANON (NL) | 2013-01-24 | — | — | US | disclosed |
| US-20130023566-A1 | 2-(1,2-BENZISOXAZOL-3-YL)BENZYLAMINE DERIVATIVES | N.V. ORGANON (NL) | 2013-01-24 | — | — | US | disclosed |
| EP-2473489-A1 | 2-(1,2-BENZISOXAZOL-3-YL)BENZYLAMINE DERIVATIVES | MSD Oss B.V. (NL) | 2012-07-11 | — | — | EP | disclosed |
| WO-2011003895-A1 | 2-(1,2-BENZISOXAZOL-3-YL)BENZYLAMINE DERIVATIVES | N.V. ORGANON (NL) | 2011-01-13 | — | — | WO | disclosed |
| WO-2011003895-A1 | 2-(1,2-BENZISOXAZOL-3-YL)BENZYLAMINE DERIVATIVES | N.V. ORGANON (NL) | 2011-01-13 | — | — | 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 (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-20130023566-A1 | 2-(1,2-BENZISOXAZOL-3-YL)BENZYLAMINE DERIVATIVES | CNR2, CNR1, OPRL1 | ESR1 2795/4885ESR2 1559/4885IP6K1 2662/4885 |
“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.