Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHEK1 | O14757 | 2/20 | 0.54 |
| ▸ | CHEK2 | O96017 | 1/20 | 0.54 |
| ▸ | HRH4 | Q9H3N8 | 5/20 | 0.50 |
| ▸ | GPR39 | O43194 | 1/20 | 0.45 |
| ▸ | BRD4 | O60885 | 2/20 | 0.43 |
| ▸ | ATAD2 | Q6PL18 | 2/20 | 0.43 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.41 |
| ▸ | HRH2 | P25021 | 1/20 | 0.41 |
| ▸ | AURKA | O14965 | 1/20 | 0.40 |
| ▸ | RPS6KB1 | P23443 | 1/20 | 0.40 |
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.39 |
| ▸ | PAK4 | O96013 | 1/20 | 0.39 |
| ▸ | PAK1 | Q13153 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL28156032 | 0.82 | CHEK1 (0.57) | CHEK1CHEK2HRH4GPR39BRD4 | |
| SCHEMBL25986477 | 0.82 | CHEK1 (0.54) | CHEK1CHEK2HRH4GPR39IRAK4 | |
| SCHEMBL793117 | 0.81 | HRH4 (0.49) | HRH4GPR39HRH3HRH2CCNT1 | |
| SCHEMBL10169328 | 0.78 | HRH4 (0.47) | CHEK1CHEK2HRH4GPR39HRH3 | |
| SCHEMBL15829866 | 0.78 | HRH4 (0.58) | CHEK1CHEK2HRH4BRD4ATAD2 | |
| SCHEMBL5789605 | 0.77 | TLR8 (0.49) | CHEK1CHEK2HRH4BRD4ATAD2 | |
| SCHEMBL2349988 | 0.76 | CYP1A2 (0.59) | HRH4BRD4ATAD2HRH3HRH2 | |
| SCHEMBL6536475 | 0.75 | HRH4 (0.47) | HRH4GPR39CYP3A4CYP2C9S1PR1 | |
| Hydrochloric Acid SCHEMBL2344160 | 0.75 | CYP1A2 (0.58) | HRH4BRD4ATAD2HRH3HRH2 | |
| SCHEMBL1322480 | 0.74 | CHEK1 (0.65) | CHEK1CHEK2HRH4GPR39PAK4 |
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 13 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 |
| US-20040204341-A1 | Nr2b receptor antagonists for the treatment or prevention of migraines | ALLEN CHRISTOPHER (US) | 2004-10-14 | — | — | US | disclosed |
| EP-1399160-A4 | NR2B RECEPTOR ANTAGONISTS FOR THE TREATMENT OR PREVENTION OF MIGRAINES | MERCK & CO INC (US) | 2004-08-25 | — | — | EP | disclosed |
| EP-1399160-A2 | NR2B RECEPTOR ANTAGONISTS FOR THE TREATMENT OR PREVENTION OF MIGRAINES | Merck & Co., Inc. (US) | 2004-03-24 | — | — | EP | disclosed |
| EP-1379520-A1 | N-SUBSTITUTED NONARYL-HETEROCYCLIC NMDA/NR2B ANTAGONISTS | Merck & Co., Inc. (US) | 2004-01-14 | — | — | EP | disclosed |
| WO-2002100352-A2 | NR2B RECEPTOR ANTAGONISTS FOR THE TREATMENT OR PREVENTION OF MIGRAINES | MERCK & CO., INC. (US) | 2002-12-19 | — | — | WO | 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 (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-20040209889-A1 | N-substituted nonaryl-heterocyclic nmda/nr2b antagonists | GRIN1, GRIN2B, GRIN2A | CHEK1 4400/4885CHEK2 3451/4885HRH4 392/4885 |
| US-20040204341-A1 | Nr2b receptor antagonists for the treatment or prevention of migraines | HTR1B, HTR2B, HTR1A | CHEK1 4658/4885CHEK2 4231/4885HRH4 242/4885 |
| US-20020165241-A1 | N-substituted nonaryl-heterocyclic NMDA/NR2B antagonists | GRIN1, GRIN2B, GRIN2A | CHEK1 4525/4885CHEK2 3583/4885HRH4 418/4885 |
“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.