Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Seltorexant. 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 | |
|---|---|---|---|---|
| ▸ | HCRTR2 known ✓ | O43614 | 20/20 | 1.00 |
| ▸ | HCRTR1 | O43613 | 20/20 | 1.00 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.81 |
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 | |
|---|---|---|---|---|
| Seltorexant SCHEMBL1671257 | 1.00 | HCRTR1 (1.00) | HCRTR1HCRTR2KCNH2 | |
| Seltorexant SCHEMBL19341242 | 1.00 | HCRTR1 (1.00) | HCRTR1HCRTR2KCNH2 | |
| Seltorexant SCHEMBL29711733 | 1.00 | HCRTR1 (1.00) | HCRTR1HCRTR2KCNH2 | |
| Seltorexant SCHEMBL29614942 | 1.00 | HCRTR1 (1.00) | HCRTR1HCRTR2KCNH2 | |
| Seltorexant SCHEMBL17270584 | 0.99 | HCRTR1 (0.98) | HCRTR1HCRTR2KCNH2 | |
| Seltorexant SCHEMBL29577602 | 0.99 | HCRTR1 (0.98) | HCRTR1HCRTR2KCNH2 | |
| SCHEMBL1670950 | 0.95 | HCRTR1 (0.91) | HCRTR1HCRTR2KCNH2 | |
| SCHEMBL6924177 | 0.93 | HCRTR1 (1.00) | HCRTR1HCRTR2KCNH2 | |
| SCHEMBL1671595 | 0.92 | HCRTR1 (1.00) | HCRTR1HCRTR2KCNH2 | |
| SCHEMBL1672658 | 0.92 | HCRTR1 (1.00) | HCRTR1HCRTR2KCNH2 |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3880204-B1 | IMPROVED SYNTHETIC METHODS OF MAKING FUSED HETEROCYCLIC COMPOUNDS AS OREXIN RECEPTOR MODULATORS | JANSSEN PHARMACEUTICA NV (BE) | 2024-05-15 | — | — | EP | claimed |
| US-12030887-B2 | Synthetic methods of making fused heterocyclic compounds as orexin receptor modulators | JANSSEN PHARMACEUTICA NV (BE) | 2024-07-09 | — | — | US | disclosed |
| US-12030887-B2 | Synthetic methods of making fused heterocyclic compounds as orexin receptor modulators | JANSSEN PHARMACEUTICA NV (BE) | 2024-07-09 | — | — | US | disclosed |
| EP-3880204-B1 | IMPROVED SYNTHETIC METHODS OF MAKING FUSED HETEROCYCLIC COMPOUNDS AS OREXIN RECEPTOR MODULATORS | JANSSEN PHARMACEUTICA NV (BE) | 2024-05-15 | — | — | EP | disclosed |
| WO-2023163964-A1 | SOLID STATE FORMS OF SELTOREXANT | TEVA CZECH INDUSTRIES S.R.O. (CZ) | 2023-08-31 | — | — | WO | disclosed |
| US-20220009932-A1 | IMPROVED SYNTHETIC METHODS OF MAKING FUSED HETEROCYCLIC COMPOUNDS AS OREXIN RECEPTOR MODULATORS | JANSSEN PHARMACEUTICA NV (BE) | 2022-01-13 | — | — | US | disclosed |
| WO-2020100011-A1 | IMPROVED SYNTHETIC METHODS OF MAKING FUSED HETEROCYCLIC COMPOUNDS AS OREXIN RECEPTOR MODULATORS | JANSSEN PHARMACEUTICA NV (BE) | 2020-05-22 | — | — | 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 (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-12030887-B2 | Synthetic methods of making fused heterocyclic compounds as orexin receptor modulators | HCRTR2, HCRTR1, HTR3D | HCRTR2 1/4885HCRTR1 2/4885KCNH2 1263/4885 |
| US-20220009932-A1 | IMPROVED SYNTHETIC METHODS OF MAKING FUSED HETEROCYCLIC COMPOUNDS AS OREXIN RECEPTOR MODULATORS | HCRTR2, HCRTR1, HTR3D | HCRTR2 1/4885HCRTR1 2/4885KCNH2 1195/4885 |
“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.