Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LTA4H | P09960 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.41 |
| ▸ | GBA1 | P04062 | 2/20 | 0.40 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.40 |
| ▸ | OPRK1 | P41145 | 2/20 | 0.40 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | HSD17B3 | P37058 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | DRD2 | P14416 | 2/20 | 0.37 |
| ▸ | DRD3 | P35462 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | HTR2A | P28223 | 1/20 | 0.37 |
| ▸ | HTR2C | P28335 | 1/20 | 0.37 |
| ▸ | HTR2B | P41595 | 1/20 | 0.37 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL5007137 | 1.00 | LTA4H (0.43) | LTA4HTDP1GBA1OPRM1OPRK1 | |
| SCHEMBL5513756 | 0.85 | SLC6A2 (0.41) | NPC1RAB9ASMN1; SMN2HSD17B3MEN1 | |
| SCHEMBL5513752 | 0.85 | SLC6A2 (0.41) | NPC1RAB9ASMN1; SMN2HSD17B3MEN1 | |
| SCHEMBL17103670 | 0.84 | OPRM1 (0.49) | LTA4HOPRM1HTR2AHTR2CHTR2B | |
| SCHEMBL22762091 | 0.84 | OPRM1 (0.49) | LTA4HOPRM1HTR2AHTR2CHTR2B | |
| SCHEMBL17103669 | 0.84 | OPRM1 (0.49) | LTA4HOPRM1HTR2AHTR2CHTR2B | |
| Hydrochloric Acid SCHEMBL5514718 | 0.83 | SLC6A2 (0.41) | NPC1RAB9ASMN1; SMN2HSD17B3HTR2A | |
| Hydrochloric Acid SCHEMBL5514715 | 0.83 | SLC6A2 (0.41) | NPC1RAB9ASMN1; SMN2HSD17B3HTR2A | |
| SCHEMBL5519330 | 0.83 | OPRM1 (0.42) | LTA4HGBA1OPRM1OPRK1OPRD1 | |
| SCHEMBL7458158 | 0.82 | OPRM1 (0.46) | OPRM1OPRK1OPRD1MEN1KMT2A |
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-7452893-B2 | 4-cycloakylaminopyrazolo pyrimidine NMDA/NR2B antagonists | MERCK & CO., INC. (US) | 2008-11-18 | — | — | US | disclosed |
| US-20070167452-A1 | Therapeutic amide derivatives | PFIZER, INC. | 2007-07-19 | — | — | US | disclosed |
| US-20070167452-A1 | Therapeutic amide derivatives | PFIZER, INC. | 2007-07-19 | — | — | 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-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-2005019222-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 |
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-20070167452-A1 | Therapeutic amide derivatives | GRIN1, GRIN2B, GRIN3A | LTA4H 1469/4885TDP1 4329/4885GBA1 639/4885 |
| 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 | GRIN2B, GRIN3A, GRIN2A | LTA4H 990/4885TDP1 1703/4885GBA1 1088/4885 |
| US-20050054658-A1 | 4-Cycloalkylaminopyrazolo pyrimidine NMDA/NR2B antagonists | GRIN2B, GRIN1, GRIN2A | LTA4H 1232/4885TDP1 1959/4885GBA1 1825/4885 |
“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.