SCHEMBL5207038

SCHEMBL5207038

COc1ccc(C[C@@H]2NCCCc3cc(OC)c(OC)cc32)cc1OC

nearest known ligand 0.85

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.67
KDM4E B2RXH2 2/20 0.62
MAPT P10636 2/20 0.62
GAA P10253 1/20 0.62
HTT P42858 1/20 0.62
PKM P14618 1/20 0.58

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
SCHEMBL5211479 1.00 BCHE (0.67) BCHEKDM4EMAPTGAAHTT
Tetrahydropapaverine SCHEMBL30298903 0.92 BCHE (0.79) BCHEKDM4EMAPTGAAHTT
Tetrahydropapaverine SCHEMBL29375914 0.92 BCHE (0.79) BCHEKDM4EMAPTGAAHTT
Tetrahydropapaverine SCHEMBL30298880 0.92 BCHE (0.79) BCHEKDM4EMAPTGAAHTT
Tetrahydropapaverine SCHEMBL251076 0.92 BCHE (0.79) BCHEKDM4EMAPTGAAHTT
Tetrahydropapaverine SCHEMBL31612469 0.92 BCHE (0.79) BCHEKDM4EMAPTGAAHTT
Tetrahydropapaverine SCHEMBL6398843 0.92 BCHE (0.79) BCHEKDM4EMAPTGAAHTT
Tetrahydropapaverine SCHEMBL1076975 0.92 BCHE (0.79) BCHEKDM4EMAPTGAAHTT
Tetrahydropapaverine SCHEMBL30441145 0.92 BCHE (0.79) BCHEKDM4EMAPTGAAHTT
Tetrahydropapaverine SCHEMBL6382627 0.91 BCHE (0.77) BCHEKDM4EMAPTGAAHTT

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 5 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 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

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 BCHE 548/4885KDM4E 1024/4885MAPT 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.