SCHEMBL5207216

SCHEMBL5207216

COc1ccc(C(=O)Cc2ccc(Cl)c(Cl)c2)cc1OC

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 6/20 0.67
GAA P10253 3/20 0.67
CRHBP P24387 1/20 0.67
CRHR2 Q13324 1/20 0.67
HTT P42858 2/20 0.63
NPC1 O15118 1/20 0.63
PDE4D Q08499 1/20 0.61
CDK8 P49336 1/20 0.52
CLK4 Q9HAZ1 1/20 0.52
MAPT P10636 2/20 0.51
TSHR P16473 2/20 0.51
CTNNB1 P35222 1/20 0.51
WNT3A P56704 1/20 0.51
MEN1 O00255 1/20 0.51
HPGD P15428 1/20 0.51
KMT2A Q03164 1/20 0.51
SMN1; SMN2 Q16637 2/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2C9 P11712 1/20 0.50

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
SCHEMBL30040198 0.88 LMNA (0.79) LMNAGAAHTTNPC1PDE4D
SCHEMBL7821807 0.88 LMNA (0.79) LMNAGAAHTTNPC1PDE4D
SCHEMBL6201848 0.83 S1PR5 (0.58) TSHRKMT2AS1PR5
SCHEMBL3943149 0.81 LMNA (0.83) LMNAGAAHTTNPC1PDE4D
SCHEMBL10956366 0.79 NPC1 (0.62) LMNAHTTNPC1PDE4DMAPT
SCHEMBL1515747 0.79 NPC1 (0.63) LMNAGAAHTTNPC1PDE4D
SCHEMBL5210966 0.78 LMNA (0.52) LMNAGAACRHBPCRHR2HTT
SCHEMBL29689390 0.78 LMNA (0.68) LMNAGAAHTTNPC1MAPT
SCHEMBL30969381 0.78 LMNA (0.64) LMNAGAAHTTNPC1PDE4D
SCHEMBL29236768 0.78 LMNA (0.68) LMNAGAAHTTNPC1MAPT

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 LMNA 2249/4885GAA 1588/4885CRHBP 249/4885

“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.