⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
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 | |
|---|---|---|---|---|
| SCHEMBL1240334 | 0.77 | TUBB4A (0.35) | — | |
| SCHEMBL194643 | 0.70 | — | — | |
| SCHEMBL16569018 | 0.68 | — | — | |
| SCHEMBL7993944 | 0.67 | — | — | |
| SCHEMBL895450 | 0.67 | — | — | |
| SCHEMBL5800970 | 0.67 | — | — | |
| SCHEMBL2443175 | 0.66 | NPC1 (0.38) | — | |
| SCHEMBL3393718 | 0.65 | — | — | |
| SCHEMBL9680316 | 0.65 | ACHE (0.31) | — | |
| SCHEMBL5214024 | 0.65 | NNMT (0.32) | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8680275-B2 | Fused heterocyclic compounds as orexin receptor modulators | JANSSEN PHARMACEUTICA NV (BE) | 2014-03-25 | — | — | US | claimed |
| EP-2491034-B1 | FUSED HETEROCYCLIC COMPOUNDS AS OREXIN RECEPTOR MODULATORS | JANSSEN PHARMACEUTICA NV (BE) | 2013-12-18 | — | — | EP | claimed |
| US-20120202783-A1 | FUSED HETEROCYCLIC COMPOUNDS AS OREXIN RECEPTOR MODULATORS | JANSSEN RESEARCH NV (BE) | 2012-08-09 | — | — | US | claimed |
| US-8680275-B2 | Fused heterocyclic compounds as orexin receptor modulators | JANSSEN PHARMACEUTICA NV (BE) | 2014-03-25 | — | — | US | disclosed |
| EP-2491034-B1 | FUSED HETEROCYCLIC COMPOUNDS AS OREXIN RECEPTOR MODULATORS | JANSSEN PHARMACEUTICA NV (BE) | 2013-12-18 | — | — | EP | disclosed |
| EP-2491034-A1 | FUSED HETEROCYCLIC COMPOUNDS AS OREXIN RECEPTOR MODULATORS | Janssen Pharmaceutica, N.V. (BE) | 2012-08-29 | — | — | EP | disclosed |
| US-20120202783-A1 | FUSED HETEROCYCLIC COMPOUNDS AS OREXIN RECEPTOR MODULATORS | JANSSEN RESEARCH NV (BE) | 2012-08-09 | — | — | US | disclosed |
| WO-2011050200-A1 | FUSED HETEROCYCLIC COMPOUNDS AS OREXIN RECEPTOR MODULATORS | JANSSEN PHARMACEUTICA NV (BE) | 2011-04-28 | — | — | WO | disclosed |