Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.45 |
| ▸ | MAPT | P10636 | 2/20 | 0.45 |
| ▸ | POLB | P06746 | 3/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | CCR3 | P51677 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 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 | |
|---|---|---|---|---|
| SCHEMBL5870651 | 0.75 | CCR3 (0.49) | ALDH1A1CCR3 | |
| SCHEMBL6945954 | 0.74 | CHRM1 (0.47) | TSHRMAPTPOLBALDH1A1CCR3 | |
| SCHEMBL10639129 | 0.71 | GAA (0.35) | MAPTALDH1A1GAA | |
| SCHEMBL11470413 | 0.70 | HPGD (0.50) | TSHRMAPTPOLBALDH1A1CYP1A2 | |
| SCHEMBL27942511 | 0.68 | MEN1 (0.44) | TSHRMAPTPOLBALDH1A1CYP1A2 | |
| SCHEMBL22032112 | 0.68 | TP53 (0.35) | POLBALDH1A1KDM4ESMN1; SMN2GAA | |
| SCHEMBL6939247 | 0.67 | AKR1C3 (0.43) | TSHRPOLBALDH1A1CYP1A2CYP2C19 | |
| SCHEMBL6939248 | 0.67 | AKR1C3 (0.43) | TSHRPOLBALDH1A1CYP1A2CYP2C19 | |
| SCHEMBL17039078 | 0.66 | GAA (0.38) | ALDH1A1MEN1KMT2AGAA | |
| SCHEMBL22032095 | 0.66 | TP53 (0.36) | MAPTALDH1A1CYP3A4KDM4EGAA |
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 |
|---|---|---|---|---|---|---|---|
| EP-1235798-A4 | 1,4 SUBSTITUTED PIPERIDINYL NMDA/NR2B ANTAGONISTS | MERCK & CO INC (US) | 2003-04-23 | — | — | EP | disclosed |
| EP-1248617-A4 | 2-AZA-BICYCLO 2.2.2]OCTANE NMDA/NR2B ANTAGONISTS | MERCK & CO INC (US) | 2003-03-05 | — | — | EP | disclosed |
| US-20030018038-A1 | 1,4 substituted piperidinyl NMDA/NR2B antagonists | MERCK & CO., INC. | 2003-01-23 | — | — | US | disclosed |
| US-6489477-B1 | NMDA NR2B ANTAGONISTS. ACCORDINGLY, ANOTHER ASPECT OF THE INVENTION IS THE TREATMENT OF PAIN, MIGRAINE, DEPRESSION, ANXIETY, SCHIZOPHRENIA, PARKINSON'S DISEASE, OR STROKE--MALADIES THAT ARE AMENABLE TO AMELIORATION THROUGH | MERCK & CO., INC. | 2002-12-03 | — | — | US | disclosed |
| US-6476041-B1 | 1,4 substituted piperidinyl NMDA/NR2B antagonists | MERCK & CO., INC. | 2002-11-05 | — | — | US | disclosed |
| EP-1248617-A1 | 2-AZA-BICYCLO 2.2.2]OCTANE NMDA/NR2B ANTAGONISTS | Merck & Co., Inc. (US) | 2002-10-16 | — | — | EP | disclosed |
| EP-1235798-A1 | 1,4 SUBSTITUTED PIPERIDINYL NMDA/NR2B ANTAGONISTS | Merck & Co., Inc. (US) | 2002-09-04 | — | — | EP | disclosed |
| WO-2001032615-A1 | 1,4 SUBSTITUTED PIPERIDINYL NMDA/NR2B ANTAGONISTS | MERCK & CO., INC. (US) | 2001-05-10 | — | — | WO | disclosed |
| WO-2001032177-A1 | 2-AZA-BICYCLO[2.2.2]OCTANE 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 (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-20030018038-A1 | 1,4 substituted piperidinyl NMDA/NR2B antagonists | GRIN1, GRIN2A, GRIN2B | TSHR 3109/4885MAPT 2660/4885POLB 3602/4885 |
“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.