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 | 0.98 |
| ▸ | HCRTR2 known ✓ | O43614 | 18/20 | 0.98 |
| ▸ | 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 SCHEMBL29520113 | 1.00 | HCRTR1 (0.98) | HCRTR1HCRTR2MTNR1B | |
| Almorexant SCHEMBL1935015 | 1.00 | HCRTR1 (0.98) | HCRTR1HCRTR2MTNR1B | |
| Almorexant SCHEMBL1933309 | 1.00 | HCRTR1 (0.98) | HCRTR1HCRTR2MTNR1B | |
| Almorexant SCHEMBL2953482 | 0.99 | HCRTR1 (1.00) | HCRTR1HCRTR2MTNR1B | |
| Almorexant SCHEMBL4147342 | 0.99 | HCRTR1 (1.00) | HCRTR1HCRTR2MTNR1B | |
| Almorexant SCHEMBL3088054 | 0.99 | HCRTR1 (1.00) | HCRTR1HCRTR2MTNR1B | |
| Almorexant SCHEMBL29376949 | 0.99 | HCRTR1 (1.00) | HCRTR1HCRTR2MTNR1B | |
| Almorexant SCHEMBL196577 | 0.99 | HCRTR1 (1.00) | HCRTR1HCRTR2MTNR1B | |
| Almorexant SCHEMBL21018760 | 0.99 | HCRTR1 (1.00) | HCRTR1HCRTR2MTNR1B | |
| Almorexant SCHEMBL3799947 | 0.95 | HCRTR1 (0.88) | 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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9532985-B2 | Tetrahydroquinoline derivatives for treating post-traumatic stress disorders | ACTELION PHARMACEUTICALS LTD. (CH) | 2017-01-03 | — | — | US | claimed |
| EP-2207550-B1 | TETRAHYDROQUINOLINE DERIVATIVES FOR TREATING POST-TRAUMATIC STRESS DISORDERS | ACTELION PHARMACEUTICALS LTD (CH) | 2013-12-11 | — | — | EP | claimed |
| CN-101820878-B | Tetrahydroquinoline derivatives for treating post-traumatic stress disorders | ACTELION PHARMACEUTICALS LTD. (CH) | 2012-02-01 | — | — | CN | claimed |
| US-20100234420-A1 | TETRAHYDROQUINOLINE DERIVATIVES FOR TREATING POST-TRAUMATIC STRESS DISORDERS | IDORSIA PHARMACEUTICALS LTD (CH) | 2010-09-16 | — | — | US | claimed |
| US-9532985-B2 | Tetrahydroquinoline derivatives for treating post-traumatic stress disorders | ACTELION PHARMACEUTICALS LTD. (CH) | 2017-01-03 | — | — | US | disclosed |
| EP-2207550-B1 | TETRAHYDROQUINOLINE DERIVATIVES FOR TREATING POST-TRAUMATIC STRESS DISORDERS | ACTELION PHARMACEUTICALS LTD (CH) | 2013-12-11 | — | — | EP | disclosed |
| US-20100234420-A1 | TETRAHYDROQUINOLINE DERIVATIVES FOR TREATING POST-TRAUMATIC STRESS DISORDERS | IDORSIA PHARMACEUTICALS LTD (CH) | 2010-09-16 | — | — | US | disclosed |
| CN-101820878-A | Tetrahydroquinoline derivatives for treating post-traumatic stress disorders | ACTELION PHARMACEUTICALS LTD | 2010-09-01 | — | — | CN | disclosed |
| US-20090082394-A1 | Tetrahydroisoquinoline Derivatives to Enhance Memory Function | ACTELION PHARMACEUTICALS, LTD. (CH) | 2009-03-26 | — | — | 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 (2 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-20090082394-A1 | Tetrahydroisoquinoline Derivatives to Enhance Memory Function | GRIN2A, BDNF, GRIN2C | HCRTR1 86/4885HCRTR2 53/4885MTNR1B 136/4885 |
| US-20100234420-A1 | TETRAHYDROQUINOLINE DERIVATIVES FOR TREATING POST-TRAUMATIC STRESS DISORDERS | CRH, HTR2C, CRHR1 | HCRTR1 22/4885HCRTR2 24/4885MTNR1B 170/4885 |
“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.