Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | MAOB | P27338 | 3/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | REN | P00797 | 2/20 | 0.33 |
| ▸ | CTSD | P07339 | 1/20 | 0.33 |
| ▸ | CTSE | P14091 | 1/20 | 0.33 |
| ▸ | PGC | P20142 | 1/20 | 0.33 |
| ▸ | CMA1 | P23946 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL18625008 | 0.72 | HSP90AA1 (0.42) | ALDH1A1 | |
| SCHEMBL18603202 | 0.72 | HSP90AA1 (0.42) | ALDH1A1 | |
| SCHEMBL6980342 | 0.70 | LMNA (0.36) | TSHRALDH1A1LMNA | |
| SCHEMBL18790507 | 0.69 | CXCR3 (0.39) | ALDH1A1LMNAREN | |
| SCHEMBL6970787 | 0.69 | ALDH1A1 (0.44) | TSHRMAOBALDH1A1LMNA | |
| SCHEMBL6946697 | 0.68 | REN (0.39) | ALDH1A1RENCTSDCTSEPGC | |
| SCHEMBL31429136 | 0.63 | PTGS1 (0.44) | TSHRALDH1A1LMNA | |
| SCHEMBL9147334 | 0.62 | PTGS1 (0.52) | TSHRSMN1; SMN2MAOBALDH1A1 | |
| SCHEMBL1784163 | 0.62 | PTGS2 (0.56) | TSHRMAOB | |
| SCHEMBL29169558 | 0.62 | PTGS2 (0.56) | TSHRMAOB |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1244639-A4 | 2-CYCLOHEXYL BENZIMIDAZOLE NMDA/NR2B ANTAGONISTS | MERCK & CO INC (US) | 2003-02-05 | — | — | EP | disclosed |
| US-6495561-B2 | TREATING MIGRAINE, DEPRESSION, ANXIETY, SCHIZOPHRENIA, PARKINSON'S DISEASE, OR STROKE | MERCK & CO., INC. | 2002-12-17 | — | — | US | disclosed |
| EP-1244639-A1 | 2-CYCLOHEXYL BENZIMIDAZOLE NMDA/NR2B ANTAGONISTS | Merck & Co., Inc. (US) | 2002-10-02 | — | — | EP | disclosed |
| US-20020055519-A1 | 2-cyclohexyl imidazopyridine NMDA/NR2B antagonists | MERCK SHARP & DOHME CORP. | 2002-05-09 | — | — | US | disclosed |
| US-6380205-B1 | QUINAZOLINE THROUGH A C1-C4ALKYL, C1- C4ALKENYL, C1-C4ALKYNYL, C1-C4ALKOXY, AMINO, AMINOC1-C4ALKYL, HYDROXYC1-C4ALKYL, CARBONYL, CYCLOC3-C6ALKYL OR AMINOCARBONYL CHAIN, USEFUL FOR TREATMENT OF THE PAIN | MERCK & CO., INC. | 2002-04-30 | — | — | US | disclosed |
| US-20020032207-A1 | 2-Cyclohexyl quinazoline NMDA/NR2B antagonists | MERCK & CO., INC. | 2002-03-14 | — | — | US | disclosed |
| US-6291499-B1 | TREATING MIGRAINE, DEPRESSION, ANXIETY, SCHIZOPHRENIA, PARKINSON'S DISEASE, OR STROKE | MERCK & CO., INC. | 2001-09-18 | — | — | US | disclosed |
| WO-2001032634-A1 | 2-CYCLOHEXYL BENZIMIDAZOLE NMDA/NR2B ANTAGONISTS | MERCK & CO., INC. (US) | 2001-05-10 | — | — | 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-20020055519-A1 | 2-cyclohexyl imidazopyridine NMDA/NR2B antagonists | GRIN2C, GRIN1, GRIN3A | TSHR 4120/4885SMN1; SMN2 924/4885MAOB 4021/4885 |
| US-20020032207-A1 | 2-Cyclohexyl quinazoline NMDA/NR2B antagonists | GRIN2C, GRIN1, GRIN3A | TSHR 4548/4885SMN1; SMN2 1522/4885MAOB 3778/4885 |
“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.