SCHEMBL4538938

SCHEMBL4538938

COc1cccc(OC)c1C1CCCCC(=O)N1

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.47
PDE4B Q07343 1/20 0.47
PDE4C Q08493 1/20 0.47
PDE4D Q08499 1/20 0.47
HCRTR2 O43614 17/20 0.43
HCRTR1 O43613 16/20 0.43
ABCB1 P08183 1/20 0.40

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
SCHEMBL4536295 0.95 PDE4A (0.45) PDE4APDE4BPDE4CPDE4DHCRTR2
SCHEMBL4531809 0.89 PDE4A (0.50) PDE4APDE4BPDE4CPDE4DHCRTR2
SCHEMBL8195528 0.83 PDE4A (0.43) PDE4APDE4BPDE4CPDE4D
SCHEMBL18150964 0.79 L3MBTL1 (0.51) PDE4APDE4BPDE4CPDE4DHCRTR2
SCHEMBL4538490 0.79 PDE4A (0.44) PDE4APDE4BPDE4CPDE4DHCRTR2
SCHEMBL4541416 0.78 PDE4B (0.43) PDE4APDE4BPDE4CPDE4DHCRTR2
SCHEMBL7671819 0.75 DDB1 (0.54) PDE4APDE4BPDE4CPDE4D
SCHEMBL8195533 0.74 PDE4A (0.62) PDE4APDE4BPDE4CPDE4D
SCHEMBL4542036 0.73 CREBBP (0.44) HCRTR2HCRTR1
SCHEMBL16796888 0.72 L3MBTL1 (0.54) PDE4APDE4BPDE4CPDE4D

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
US-9242970-B2 Lactam derivatives useful as orexin receptor antagonists ACTELION PHARMACEUTICALS LTD. (CH) 2016-01-26 US disclosed
EP-2638008-B1 LACTAM DERIVATIVES USEFUL AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2015-07-01 EP disclosed
EP-2638008-A1 LACTAM DERIVATIVES USEFUL AS OREXIN RECEPTOR ANTAGONISTS Actelion Pharmaceuticals Ltd. (CH) 2013-09-18 EP disclosed
US-20130237525-A1 LACTAM DERIVATIVES USEFUL AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD. (CH) 2013-09-12 US disclosed
WO-2012063207-A1 LACTAM DERIVATIVES USEFUL AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2012-05-18 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-20130237525-A1 LACTAM DERIVATIVES USEFUL AS OREXIN RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, NPY1R PDE4A 1724/4885PDE4B 1918/4885PDE4C 2441/4885

“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.