Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Almorexant. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HCRTR1 known ✓ | O43613 | 18/20 | 1.00 |
| ▸ | HCRTR2 known ✓ | O43614 | 18/20 | 1.00 |
| ▸ | MTNR1B | P49286 | 2/20 | 0.62 |
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 | |
|---|---|---|---|---|
| Almorexant SCHEMBL2953482 | 1.00 | HCRTR1 (1.00) | HCRTR1HCRTR2MTNR1B | |
| Almorexant SCHEMBL3088054 | 1.00 | HCRTR1 (1.00) | HCRTR1HCRTR2MTNR1B | |
| Almorexant SCHEMBL29376949 | 1.00 | HCRTR1 (1.00) | HCRTR1HCRTR2MTNR1B | |
| Almorexant SCHEMBL196577 | 1.00 | HCRTR1 (1.00) | HCRTR1HCRTR2MTNR1B | |
| Almorexant SCHEMBL21018760 | 1.00 | HCRTR1 (1.00) | HCRTR1HCRTR2MTNR1B | |
| Almorexant SCHEMBL1933309 | 0.99 | HCRTR1 (0.98) | HCRTR1HCRTR2MTNR1B | |
| Almorexant SCHEMBL1935015 | 0.99 | HCRTR1 (0.98) | HCRTR1HCRTR2MTNR1B | |
| Almorexant SCHEMBL3086940 | 0.99 | HCRTR1 (0.98) | HCRTR1HCRTR2MTNR1B | |
| Almorexant SCHEMBL29520113 | 0.99 | HCRTR1 (0.98) | HCRTR1HCRTR2MTNR1B | |
| Almorexant SCHEMBL12055844 | 0.94 | HCRTR1 (0.90) | HCRTR1HCRTR2MTNR1B |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8084464-B2 | Tetrahydroisoquinoline derivatives | CONCERT PHARMACEUTICALS, INC. (US) | 2011-12-27 | — | — | US | disclosed |
| US-20090192188-A1 | TETRAHYDROISOQUINOLINE DERIVATIVES | SUN PHARMACEUTICAL INDUSTRIES, INC. | 2009-07-30 | — | — | 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-20090192188-A1 | TETRAHYDROISOQUINOLINE DERIVATIVES | HCRTR2, HCRTR1, OXTR | HCRTR1 2/4885HCRTR2 1/4885MTNR1B 27/4885 |
“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.