Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MCHR1 | Q99705 | 1/20 | 0.46 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.40 |
| ▸ | APP | P05067 | 2/20 | 0.39 |
| ▸ | BRD4 | O60885 | 1/20 | 0.36 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.36 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.36 |
| ▸ | ERN1 | O75460 | 1/20 | 0.36 |
| ▸ | CA1 | P00915 | 1/20 | 0.35 |
| ▸ | CA2 | P00918 | 1/20 | 0.35 |
| ▸ | CA9 | Q16790 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.35 |
| ▸ | MET | P08581 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | PKM | P14618 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | CRHBP | P24387 | 1/20 | 0.34 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.34 |
| ▸ | EGFR | P00533 | 1/20 | 0.34 |
| ▸ | KMO | O15229 | 2/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL7253000 | 0.82 | HTR2A (0.39) | GRIN2BBRD4SMN1; SMN2PKMPOLB | |
| SCHEMBL7256589 | 0.80 | GRIN2B (0.39) | GRIN2BBRD4KMOHTR2AHTR2C | |
| SCHEMBL7253155 | 0.78 | GRIN2B (0.41) | GRIN2BBRD4METKMOHTR2A | |
| SCHEMBL7253254 | 0.76 | MKNK1 (0.40) | BRD4SMN1; SMN2PKMKDM4E | |
| SCHEMBL7253398 | 0.75 | HTR1D (0.48) | BRD4METKMOHTR2AHTR2C | |
| SCHEMBL7252996 | 0.75 | HTR1D (0.52) | BRD4METCYP11B1CYP11B2 | |
| SCHEMBL7252961 | 0.73 | BRD4 (0.36) | BRD4METCYP1A2EGFRKMO | |
| SCHEMBL7572923 | 0.72 | HTR2A (0.44) | CYP1A2PKMPOLBEGFRKMO | |
| SCHEMBL7253683 | 0.72 | KMO (0.57) | MCHR1SMN1; SMN2PKMPOLBEGFR | |
| SCHEMBL7253623 | 0.69 | HTR1D (0.42) | MCHR1GRIN2BBRD4POLBKDM4E |
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-20020169322-A1 | Use of N-alkylamino-heterocylic compounds for the treatment of migraine | NPS ALLEXLIX CORP. | 2002-11-14 | — | — | US | claimed |
| US-6635639-B2 | Treatment or diagnosis of central nervous system conditions | NPS ALLELIX CORP. (CA) | 2003-10-21 | — | — | US | disclosed |
| US-20020169322-A1 | Use of N-alkylamino-heterocylic compounds for the treatment of migraine | NPS ALLEXLIX CORP. | 2002-11-14 | — | — | US | disclosed |
| US-6380242-B1 | FOR DIAGNOSIS AND THERAPY OF CENTRAL NERVOUS SYSTEM CONDITIONS | NPS ALLELIX CORP. (CA) | 2002-04-30 | — | — | US | 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-20020169322-A1 | Use of N-alkylamino-heterocylic compounds for the treatment of migraine | CNR1, CNR2, KCNH1 | MCHR1 422/4885GRIN2B 316/4885APP 1086/4885 |
“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.