Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 5/20 | 0.47 |
| ▸ | CA2 | P00918 | 5/20 | 0.47 |
| ▸ | CA4 | P22748 | 5/20 | 0.47 |
| ▸ | CA6 | P23280 | 4/20 | 0.47 |
| ▸ | NPC1 | O15118 | 2/20 | 0.42 |
| ▸ | RAB9A | P51151 | 2/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 2/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | PTGS1 | P23219 | 3/20 | 0.38 |
| ▸ | PTGS2 | P35354 | 3/20 | 0.38 |
| ▸ | OPRK1 | P41145 | 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 | |
|---|---|---|---|---|
| SCHEMBL10504390 | 1.00 | CA1 (0.47) | CA1CA2CA4CA6NPC1 | |
| SCHEMBL4058485 | 0.98 | CA1 (0.44) | CA1CA2CA4CA6NPC1 | |
| SCHEMBL2565281 | 0.93 | NPC1 (0.42) | CA1CA2CA4CA6NPC1 | |
| SCHEMBL11746207 | 0.83 | NPC1 (0.54) | CA1CA2CA4CA6NPC1 | |
| SCHEMBL11082604 | 0.83 | CYP2D6 (0.54) | CA1CA2CA4CA6NPC1 | |
| SCHEMBL10412651 | 0.83 | CYP2D6 (0.54) | CA1CA2CA4CA6NPC1 | |
| SCHEMBL10642355 | 0.82 | BRD4 (0.42) | GAAEPHX2BRD4 | |
| SCHEMBL534241 | 0.81 | CYP2D6 (0.55) | CA1CA2CA4CA6NPC1 | |
| SCHEMBL11241585 | 0.81 | CYP2D6 (0.55) | CA1CA2CA4CA6NPC1 | |
| SCHEMBL8159406 | 0.81 | NPC1 (0.55) | CA1CA2CA4CA6NPC1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20040192676-A1 | Ligands of melanocortin receptors and compositions and methods related thereto | NEUROCRINE BIOSCIENCES, INC. | 2004-09-30 | — | — | US | disclosed |
| WO-2004058735-A2 | LIGANDS OF MELANOCORTIN RECEPTORS AND COMPOSITIONS AND METHODS RELATED THERETO | NEUROCRINE BIOSCIENCES, INC. (US) | 2004-07-15 | — | — | WO | disclosed |
| EP-0212588-B1 | Saturated cycloalkyl [b] pyrrole-1(2H)-acetic acid amides and derivatives thereof | WARNER-LAMBERT COMPANY (US) | 1989-12-06 | — | — | EP | disclosed |
| US-4758585-A | Saturated cycloalkyl (B) pyrrol-1 (2H)- acetic acid amides and derivatives thereof | WARNER-LAMBERT COMPANY (US) | 1988-07-19 | — | — | US | disclosed |
| EP-0212588-A1 | Saturated cycloalkyl [b] pyrrole-1(2H)-acetic acid amides and derivatives thereof | WARNER-LAMBERT COMPANY (US) | 1987-03-04 | — | — | EP | 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-20040192676-A1 | Ligands of melanocortin receptors and compositions and methods related thereto | MC3R, MC1R, MC2R | CA1 2718/4885CA2 2537/4885CA4 2005/4885 |
“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.