SCHEMBL5208783

SCHEMBL5208783

COc1ccc(CC2c3cc(OC)c(OC)cc3OCCN2CC(=O)NC2CCCc3ccccc32)cc1OC

nearest known ligand 0.70

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 14/20 0.70
HCRTR2 O43614 11/20 0.70
SMN1; SMN2 Q16637 2/20 0.56
KDM4E B2RXH2 1/20 0.51
NPC1 O15118 1/20 0.49

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.

Compoundsimilaritytop predictedshared targets
SCHEMBL5207496 0.95 HCRTR1 (0.78) HCRTR1HCRTR2SMN1; SMN2
SCHEMBL4430693 0.88 HCRTR1 (0.90) HCRTR1HCRTR2SMN1; SMN2
SCHEMBL6789122 0.88 HCRTR1 (0.90) HCRTR1HCRTR2SMN1; SMN2
SCHEMBL5206516 0.86 HCRTR1 (0.72) HCRTR1HCRTR2SMN1; SMN2KDM4E
SCHEMBL5208444 0.85 HCRTR1 (0.75) HCRTR1HCRTR2
SCHEMBL6793910 0.85 HCRTR1 (0.74) HCRTR1HCRTR2SMN1; SMN2
SCHEMBL5211251 0.85 HCRTR1 (0.90) HCRTR1HCRTR2SMN1; SMN2
SCHEMBL5210937 0.85 HCRTR1 (0.90) HCRTR1HCRTR2SMN1; SMN2
SCHEMBL5208359 0.85 HCRTR1 (0.90) HCRTR1HCRTR2SMN1; SMN2
SCHEMBL6788500 0.83 HCRTR1 (0.77) HCRTR1HCRTR2SMN1; SMN2

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1347967-B1 NOVEL BENZAZEPINES AND RELATED HETEROCYCLIC DERIVATIVES WHICH ARE USEFUL AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2007-12-19 EP claimed
US-20040058912-A1 Novel benzazepines and related heterocyclic derivatives which are useful as orexin receptor antagonists ACTELION PHARMACEUTICALS LTD. (CH) 2004-03-25 US claimed
EP-1347967-A1 NOVEL BENZAZEPINES AND RELATED HETEROCYCLIC DERIVATIVES WHICH ARE USEFUL AS OREXIN RECEPTOR ANTAGONISTS Actelion Pharmaceuticals Ltd. (CH) 2003-10-01 EP claimed
WO-2002051838-A1 NOVEL BENZAZEPINES AND RELATED HETEROCYCLIC DERIVATIVES WHICH ARE USEFUL AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD. (CH) 2002-07-04 WO claimed
WO-2002051232-A2 NOVEL BENZAZEPINES AND RELATED HETEROCYCLIC DERIVATIVES ACTELION PHARMACEUTICALS LTD. (CH) 2002-07-04 WO claimed
EP-1347967-B1 NOVEL BENZAZEPINES AND RELATED HETEROCYCLIC DERIVATIVES WHICH ARE USEFUL AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2007-12-19 EP disclosed
US-7192950-B2 Benzazepines and related heterocyclic derivatives which are useful as orexin receptor antagonists ACTELION PHARMACEUTICALS, LTD. (CH) 2007-03-20 US disclosed
US-20040058912-A1 Novel benzazepines and related heterocyclic derivatives which are useful as orexin receptor antagonists ACTELION PHARMACEUTICALS LTD. (CH) 2004-03-25 US disclosed
EP-1347967-A1 NOVEL BENZAZEPINES AND RELATED HETEROCYCLIC DERIVATIVES WHICH ARE USEFUL AS OREXIN RECEPTOR ANTAGONISTS Actelion Pharmaceuticals Ltd. (CH) 2003-10-01 EP disclosed
WO-2002051838-A1 NOVEL BENZAZEPINES AND RELATED HETEROCYCLIC DERIVATIVES WHICH ARE USEFUL AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD. (CH) 2002-07-04 WO disclosed
WO-2002051232-A2 NOVEL BENZAZEPINES AND RELATED HETEROCYCLIC DERIVATIVES ACTELION PHARMACEUTICALS LTD. (CH) 2002-07-04 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 (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.

PatentTitleText reads most aboutPredicted target · text-rank
US-20040058912-A1 Novel benzazepines and related heterocyclic derivatives which are useful as orexin receptor antagonists HCRTR2, HCRTR1, OXTR HCRTR1 2/4885HCRTR2 1/4885SMN1; SMN2 3710/4885

“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.