Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRIN2B | Q13224 | 9/20 | 0.57 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.56 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.56 |
| ▸ | PAK1 | Q13153 | 10/20 | 0.54 |
| ▸ | HPGDS | O60760 | 1/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL4308430 | 0.88 | GRIN2B (0.60) | GRIN2BKCNH2CYP2D6PAK1HPGDS | |
| SCHEMBL5137237 | 0.87 | GRIN2B (0.57) | GRIN2BKCNH2CYP2D6PAK1HPGDS | |
| SCHEMBL8256381 | 0.87 | GRIN2B (0.57) | GRIN2BKCNH2CYP2D6PAK1HPGDS | |
| SCHEMBL4315728 | 0.81 | HTT (0.64) | GRIN2BKCNH2CYP2D6PAK1HPGDS | |
| SCHEMBL4321264 | 0.80 | GRIN2B (0.53) | GRIN2BKCNH2CYP2D6PAK1HPGDS | |
| SCHEMBL4311101 | 0.80 | GRIN2B (0.70) | GRIN2BKCNH2CYP2D6PAK1HPGDS | |
| SCHEMBL4304015 | 0.79 | PAK1 (0.59) | GRIN2BKCNH2CYP2D6PAK1HPGDS | |
| SCHEMBL4315495 | 0.78 | GRIN2B (0.84) | GRIN2BKCNH2CYP2D6 | |
| SCHEMBL4306067 | 0.78 | GRIN2B (0.62) | GRIN2BKCNH2CYP2D6PAK1HPGDS | |
| SCHEMBL4313437 | 0.78 | GRIN2B (0.58) | GRIN2BKCNH2CYP2D6PAK1HPGDS |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20090124600-A1 | N-Alkyl-Azacycloalkyl NMDA/NR2B Antagonists | MERCK SHARP & DOHME CORP. | 2009-05-14 | — | — | US | disclosed |
| US-20090124600-A1 | N-Alkyl-Azacycloalkyl NMDA/NR2B Antagonists | MERCK SHARP & DOHME CORP. | 2009-05-14 | — | — | US | disclosed |
| US-20090124600-A1 | N-Alkyl-Azacycloalkyl NMDA/NR2B Antagonists | MERCK SHARP & DOHME CORP. | 2009-05-14 | — | — | US | disclosed |
| WO-2006113471-A2 | N-ALKYL-AZACYCLOALKYL NMDA/NR2B ANTAGONISTS | MERCK & CO., INC. (US) | 2006-10-26 | — | — | 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-20090124600-A1 | N-Alkyl-Azacycloalkyl NMDA/NR2B Antagonists | GRIN2B, GRIN2A, GRIN1 | GRIN2B 1/4885KCNH2 338/4885CYP2D6 1656/4885 |
“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.