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 SCHEMBL4147342 | 1.00 | HCRTR1 (1.00) | HCRTR1HCRTR2MTNR1B | |
| Almorexant SCHEMBL3088054 | 1.00 | HCRTR1 (1.00) | HCRTR1HCRTR2MTNR1B | |
| Almorexant SCHEMBL29376949 | 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 150 patents — showing the first 20. 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 |
| US-8980910-B2 | Treatment of glaucoma | INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION (US) | 2015-03-17 | — | — | US | claimed |
| EP-1751111-B1 | SUBSTITUTED 1,2,3,4-TETRAHYDROISOQUINOLINE DERIVATIVES | ACTELION PHARMACEUTICALS LTD (CH) | 2014-12-31 | — | — | EP | claimed |
| US-20140039003-A1 | TREATMENT OF GLAUCOMA | INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION (US) | 2014-02-06 | — | — | US | claimed |
| EP-2207550-B1 | TETRAHYDROQUINOLINE DERIVATIVES FOR TREATING POST-TRAUMATIC STRESS DISORDERS | ACTELION PHARMACEUTICALS LTD (CH) | 2013-12-11 | — | — | EP | claimed |
| US-20100234420-A1 | TETRAHYDROQUINOLINE DERIVATIVES FOR TREATING POST-TRAUMATIC STRESS DISORDERS | IDORSIA PHARMACEUTICALS LTD (CH) | 2010-09-16 | — | — | US | claimed |
| CN-101820878-A | Tetrahydroquinoline derivatives for treating post-traumatic stress disorders | ACTELION PHARMACEUTICALS LTD | 2010-09-01 | — | — | CN | claimed |
| US-7763638-B2 | Substituted 1,2,3,4-tetrahydroisoquinoline derivatives | ACTELION PHARMACEUTICALS LTD. (CH) | 2010-07-27 | — | — | US | claimed |
| US-20090082394-A1 | Tetrahydroisoquinoline Derivatives to Enhance Memory Function | ACTELION PHARMACEUTICALS, LTD. (CH) | 2009-03-26 | — | — | US | claimed |
| US-11040966-B2 | Benzimidazole-proline derivatives | IDORSIA PHARMACEUTICALS LTD (CH) | 2021-06-22 | — | — | US | disclosed |
| US-20210169883-A1 | METHOD OF TREATING AGGRESSION WITH OREXIN RECEPTOR ANTAGONISTS | ICAHN SCHOOL OF MEDICINE AT MOUNT SINAI (US) | 2021-06-10 | — | — | US | disclosed |
| EP-2608787-B1 | PROLINE SULFONAMIDE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS | IDORSIA PHARMACEUTICALS LTD (CH) | 2019-11-20 | — | — | EP | disclosed |
| US-20190263797-A1 | BENZIMIDAZOLE-PROLINE DERIVATIVES | IDORSIA PHARMACEUTICALS LTD (CH) | 2019-08-29 | — | — | US | disclosed |
| US-10377763-B2 | Morphinan derivative and medical usage thereof | UNIVERSITY OF TSUKUBA (JP) | 2019-08-13 | — | — | US | disclosed |
| WO-2008055313-A1 | DETECTION SYSTEM AND USES THEREFOR | DIMERIX BIOSCIENCE PTY LTD (AU) | 2008-05-15 | — | — | WO | disclosed |
| WO-2008055314-A1 | THYROTROPIN RELEASING HORMONE RECEPTOR-OREXIN RECEPTOR HETERO-DIMERS/-OLIGOMERS | DIMERIX BIOSCIENCE PTY LTD (AU) | 2008-05-15 | — | — | WO | disclosed |
| US-20070191424-A1 | Substituted 1,2,3,4-tetrahydroisoquinoline derivatives | IDORSIA PHARMACEUTICALS LTD (CH) | 2007-08-16 | — | — | US | disclosed |
| US-20070191424-A1 | Substituted 1,2,3,4-tetrahydroisoquinoline derivatives | IDORSIA PHARMACEUTICALS LTD (CH) | 2007-08-16 | — | — | US | disclosed |
| US-20070191424-A1 | Substituted 1,2,3,4-tetrahydroisoquinoline derivatives | IDORSIA PHARMACEUTICALS LTD (CH) | 2007-08-16 | — | — | US | disclosed |
| WO-2005118548-A1 | SUBSTITUTED 1,2,3,4-TETRAHYDROISOQUINOLINE DERIVATIVES | ACTELION PHARMACEUTICALS LTD (CH) | 2005-12-15 | — | — | 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 (8 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-10377763-B2 | Morphinan derivative and medical usage thereof | HCRTR2, HCRTR1, OPRM1 | HCRTR1 2/4885HCRTR2 1/4885MTNR1B 5/4885 |
| 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 |
| US-11040966-B2 | Benzimidazole-proline derivatives | HCRTR1, HCRTR2, NPY1R | HCRTR1 1/4885HCRTR2 2/4885MTNR1B 20/4885 |
| US-20070191424-A1 | Substituted 1,2,3,4-tetrahydroisoquinoline derivatives | CPT1A, NQO1, COQ8A | HCRTR1 2233/4885HCRTR2 1045/4885MTNR1B 33/4885 |
| US-20140039003-A1 | TREATMENT OF GLAUCOMA | HCRTR2, HCRTR1, THOP1 | HCRTR1 2/4885HCRTR2 1/4885MTNR1B 6/4885 |
| US-20210169883-A1 | METHOD OF TREATING AGGRESSION WITH OREXIN RECEPTOR ANTAGONISTS | HCRTR2, OXTR, HCRTR1 | HCRTR1 3/4885HCRTR2 1/4885MTNR1B 29/4885 |
| US-20190263797-A1 | BENZIMIDAZOLE-PROLINE DERIVATIVES | HCRTR1, HCRTR2, NPY1R | HCRTR1 1/4885HCRTR2 2/4885MTNR1B 20/4885 |
“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.