SCHEMBL5207496

SCHEMBL5207496

COc1ccc(CC2c3cc(OC)c(OC)cc3OCCN2CC(=O)NC2CCc3ccccc32)cc1OC

nearest known ligand 0.78

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 16/20 0.78
HCRTR2 O43614 12/20 0.78
MAPT P10636 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.49
PDE4A P27815 1/20 0.49
PDE4B Q07343 1/20 0.49
PDE4C Q08493 1/20 0.49
PDE4D Q08499 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
SCHEMBL5208783 0.95 HCRTR1 (0.70) HCRTR1HCRTR2SMN1; SMN2
SCHEMBL6788718 0.88 HCRTR1 (1.00) HCRTR1HCRTR2
SCHEMBL4428212 0.88 HCRTR1 (1.00) HCRTR1HCRTR2
SCHEMBL6910107 0.88 HCRTR1 (1.00) HCRTR1HCRTR2
SCHEMBL4425848 0.88 HCRTR1 (1.00) HCRTR1HCRTR2
SCHEMBL5208444 0.87 HCRTR1 (0.75) HCRTR1HCRTR2
SCHEMBL5210937 0.86 HCRTR1 (0.90) HCRTR1HCRTR2SMN1; SMN2
SCHEMBL5208359 0.86 HCRTR1 (0.90) HCRTR1HCRTR2SMN1; SMN2
SCHEMBL5211251 0.86 HCRTR1 (0.90) HCRTR1HCRTR2SMN1; SMN2
SCHEMBL5208567 0.85 HCRTR1 (0.80) HCRTR1HCRTR2MAPTSMN1; SMN2PDE4A

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-2002051232-A2 NOVEL BENZAZEPINES AND RELATED HETEROCYCLIC DERIVATIVES ACTELION PHARMACEUTICALS LTD. (CH) 2002-07-04 WO 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
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-2002051232-A2 NOVEL BENZAZEPINES AND RELATED HETEROCYCLIC DERIVATIVES ACTELION PHARMACEUTICALS LTD. (CH) 2002-07-04 WO 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

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 1/4885MAPT 1575/4885

“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.