Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 13/20 | 0.44 |
| ▸ | ESR2 | Q92731 | 13/20 | 0.44 |
| ▸ | HSP90AA1 | P07900 | 3/20 | 0.40 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.38 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.38 |
| ▸ | SCD5 | Q86SK9 | 1/20 | 0.37 |
| ▸ | ERN1 | O75460 | 1/20 | 0.36 |
| ▸ | ACHE | P22303 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL6711117 | 0.83 | ESR1 (0.44) | ESR1ESR2HSP90AA1PTPN1ERN1 | |
| SCHEMBL26982067 | 0.83 | ESR1 (0.44) | ESR1ESR2HSP90AA1 | |
| SCHEMBL26982053 | 0.83 | ESR1 (0.50) | ESR1ESR2HSP90AA1PTPN1CYP2A6 | |
| SCHEMBL6712641 | 0.83 | ESR1 (0.44) | ESR1ESR2HSP90AA1PTPN1ACHE | |
| SCHEMBL26982130 | 0.83 | ESR1 (0.50) | ESR1ESR2HSP90AA1PTPN1CYP2A6 | |
| SCHEMBL6711107 | 0.82 | ESR1 (0.50) | ESR1ESR2HSP90AA1PTPN1 | |
| SCHEMBL7561119 | 0.80 | EPHX2 (0.45) | ESR1ESR2HSP90AA1 | |
| SCHEMBL933957 | 0.80 | ESR1 (0.45) | ESR1ESR2HSP90AA1 | |
| SCHEMBL935151 | 0.79 | ESR1 (0.44) | ESR1ESR2HSP90AA1ERN1ACHE | |
| SCHEMBL29898892 | 0.76 | ESR1 (0.36) | ESR1ESR2HSP90AA1 |
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 13 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20240190854-A1 | PYRIMIDINE OR PYRIDINE DERIVATIVES USEFUL AS HCN2 MODULATORS | KING'S COLLEGE LONDON (GB) | 2024-06-13 | — | — | US | disclosed |
| EP-4301745-A1 | PYRIMIDINE OR PYRIDINE DERIVATES USEFUL AS HCN2 MODULATORS | King's College London (GB) | 2024-01-10 | — | — | EP | disclosed |
| WO-2022185055-A1 | PYRIMIDINE OR PYRIDINE DERIVATES USEFUL AS HCN2 MODULATORS | KING'S COLLEGE LONDON (GB) | 2022-09-09 | — | — | WO | 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 |
| 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 |
| 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 (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-20130023566-A1 | 2-(1,2-BENZISOXAZOL-3-YL)BENZYLAMINE DERIVATIVES | CNR2, CNR1, OPRL1 | ESR1 2795/4885ESR2 1559/4885HSP90AA1 3202/4885 |
| US-20240190854-A1 | PYRIMIDINE OR PYRIDINE DERIVATIVES USEFUL AS HCN2 MODULATORS | HCN2, HCN1, HCN3 | ESR1 4698/4885ESR2 2847/4885HSP90AA1 1636/4885 |
“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.