Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRIN2B | Q13224 | 12/20 | 0.74 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.59 |
| ▸ | CYP2C9 | P11712 | 4/20 | 0.59 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.59 |
| ▸ | NOS2 | P35228 | 1/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.49 |
| ▸ | NPC1 | O15118 | 1/20 | 0.49 |
| ▸ | RAB9A | P51151 | 1/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL5355767 | 1.00 | GRIN2B (0.74) | GRIN2BCYP2D6CYP2C9CYP3A4NOS2 | |
| SCHEMBL5355762 | 1.00 | GRIN2B (0.74) | GRIN2BCYP2D6CYP2C9CYP3A4NOS2 | |
| SCHEMBL5352852 | 0.85 | GRIN2B (1.00) | GRIN2BCYP2D6CYP2C9CYP3A4 | |
| SCHEMBL5353155 | 0.84 | GRIN2B (0.74) | GRIN2BCYP2D6CYP2C9CYP3A4SMN1; SMN2 | |
| SCHEMBL5353147 | 0.84 | GRIN2B (0.74) | GRIN2BCYP2D6CYP2C9CYP3A4SMN1; SMN2 | |
| SCHEMBL5352178 | 0.84 | GRIN2B (0.74) | GRIN2BCYP2D6CYP2C9CYP3A4SMN1; SMN2 | |
| SCHEMBL14502154 | 0.80 | GRIN2B (0.49) | GRIN2BCYP2D6CYP2C9CYP3A4SMN1; SMN2 | |
| SCHEMBL5354340 | 0.80 | GRIN2B (0.49) | GRIN2BCYP2D6CYP2C9CYP3A4SMN1; SMN2 | |
| SCHEMBL844352 | 0.79 | SMN1; SMN2 (0.61) | GRIN2BCYP2D6CYP2C9CYP3A4SMN1; SMN2 | |
| SCHEMBL14425191 | 0.79 | SMN1; SMN2 (0.61) | GRIN2BCYP2D6CYP2C9CYP3A4SMN1; SMN2 |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7217716-B2 | N-substituted nonaryl-heterocyclic NMDA/NR2B antagonists | MERCK & CO., INC. (US) | 2007-05-15 | — | — | US | disclosed |
| US-7217716-B2 | N-substituted nonaryl-heterocyclic NMDA/NR2B antagonists | MERCK & CO., INC. (US) | 2007-05-15 | — | — | US | disclosed |
| US-7217716-B2 | N-substituted nonaryl-heterocyclic NMDA/NR2B antagonists | MERCK & CO., INC. (US) | 2007-05-15 | — | — | US | disclosed |
| US-7053089-B2 | N-substituted nonaryl-heterocyclic NMDA/NR2B antagonists | MERCK & CO., INC. (US) | 2006-05-30 | — | — | US | disclosed |
| EP-1379520-B1 | N-SUBSTITUTED NONARYL-HETEROCYCLIC NMDA/NR2B ANTAGONISTS | MERCK & CO INC (US) | 2006-04-26 | — | — | EP | disclosed |
| US-20040209889-A1 | N-substituted nonaryl-heterocyclic nmda/nr2b antagonists | MERCK SHARP & DOHME CORP. | 2004-10-21 | — | — | US | disclosed |
| EP-1379520-A1 | N-SUBSTITUTED NONARYL-HETEROCYCLIC NMDA/NR2B ANTAGONISTS | Merck & Co., Inc. (US) | 2004-01-14 | — | — | EP | disclosed |
| US-20020165241-A1 | N-substituted nonaryl-heterocyclic NMDA/NR2B antagonists | MERCK SHARP & DOHME LLC | 2002-11-07 | — | — | US | disclosed |
| WO-2002068409-A1 | N-SUBSTITUTED NONARYL-HETEROCYCLIC NMDA/NR2B ANTAGONISTS | MERCK & CO., INC. (US) | 2002-09-06 | — | — | 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-20040209889-A1 | N-substituted nonaryl-heterocyclic nmda/nr2b antagonists | GRIN1, GRIN2B, GRIN2A | GRIN2B 2/4885CYP2D6 3395/4885CYP2C9 3027/4885 |
| US-20020165241-A1 | N-substituted nonaryl-heterocyclic NMDA/NR2B antagonists | GRIN1, GRIN2B, GRIN2A | GRIN2B 2/4885CYP2D6 3068/4885CYP2C9 2427/4885 |
“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.