⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
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 | |
|---|---|---|---|---|
| SCHEMBL5006951 | 1.00 | — | — | |
| SCHEMBL16411045 | 0.84 | OSBP (0.33) | — | |
| SCHEMBL7947219 | 0.82 | — | — | |
| SCHEMBL9785228 | 0.80 | OSBP (0.33) | — | |
| SCHEMBL965597 | 0.79 | MEN1 (0.35) | — | |
| SCHEMBL26658524 | 0.79 | MEN1 (0.35) | — | |
| SCHEMBL2330280 | 0.78 | OSBP (0.32) | — | |
| SCHEMBL1892052 | 0.77 | TSHR (0.36) | — | |
| SCHEMBL26906219 | 0.77 | TSHR (0.36) | — | |
| SCHEMBL7949952 | 0.76 | — | — |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7452893-B2 | 4-cycloakylaminopyrazolo pyrimidine NMDA/NR2B antagonists | MERCK & CO., INC. (US) | 2008-11-18 | — | — | US | disclosed |
| US-7452893-B2 | 4-cycloakylaminopyrazolo pyrimidine NMDA/NR2B antagonists | MERCK & CO., INC. (US) | 2008-11-18 | — | — | US | disclosed |
| US-7452893-B2 | 4-cycloakylaminopyrazolo pyrimidine NMDA/NR2B antagonists | MERCK & CO., INC. (US) | 2008-11-18 | — | — | US | disclosed |
| US-20070037829-A1 | e.g. trans-(4-Phenethyloxy-cyclohexyl)-(1H-pyrazolo[3,4-d]pyrimidin-4-yl)-amine; neurodegenerative disorders, analgesic, antidepressant, anxiolytic agent; Parkinson's disease, Alzheimer's disease, epilepsy, ischemic brain injury, stroke; with other active ingredients | MERCK & CO., INC. (US) | 2007-02-15 | — | — | US | disclosed |
| US-20070037829-A1 | e.g. trans-(4-Phenethyloxy-cyclohexyl)-(1H-pyrazolo[3,4-d]pyrimidin-4-yl)-amine; neurodegenerative disorders, analgesic, antidepressant, anxiolytic agent; Parkinson's disease, Alzheimer's disease, epilepsy, ischemic brain injury, stroke; with other active ingredients | MERCK & CO., INC. (US) | 2007-02-15 | — | — | US | disclosed |
| EP-1656379-B1 | 4-CYCLOALKYLAMINOPYRAZOLO PYRIMIDINE NMDA/NR2B ANTAGONISTS | MERCK & CO INC (US) | 2007-01-10 | — | — | EP | disclosed |
| EP-1656379-A1 | 4-CYCLOALKYLAMINOPYRAZOLO PYRIMIDINE NMDA/NR2B ANTAGONISTS | Merck & Co., Inc. (US) | 2006-05-17 | — | — | EP | disclosed |
| US-20050054658-A1 | 4-Cycloalkylaminopyrazolo pyrimidine NMDA/NR2B antagonists | THOMPSON WAYNE (US) | 2005-03-10 | — | — | US | disclosed |
| WO-2005019221-A1 | 4-CYCLOALKYLAMINOPYRAZOLO PYRIMIDINE NMDA/NR2B ANTAGONISTS | MERCK & CO., INC. (US) | 2005-03-03 | — | — | WO | disclosed |
| WO-2005019221-A1 | 4-CYCLOALKYLAMINOPYRAZOLO PYRIMIDINE NMDA/NR2B ANTAGONISTS | MERCK & CO., INC. (US) | 2005-03-03 | — | — | WO | disclosed |