SCHEMBL3732785

SCHEMBL3732785

O=C(CCc1ccc(C(F)(F)F)nc1)c1ccc(OC(F)F)c(OC(F)F)c1

nearest known ligand 0.62

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 12/20 0.62
PDE4A P27815 12/20 0.62
PDE4B Q07343 10/20 0.62
PDE4C Q08493 10/20 0.62
PTGES O14684 1/20 0.40
DAO P14920 1/20 0.39
ACHE P22303 1/20 0.38
KCNH2 Q12809 1/20 0.38
MRGPRX4 Q96LA9 1/20 0.37

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
SCHEMBL3743868 0.94 PDE4A (0.55) PDE4DPDE4APDE4BPDE4CPTGES
SCHEMBL3735490 0.84 MRGPRX4 (0.47) PDE4DPDE4APDE4BPDE4CDAO
SCHEMBL3738096 0.84 PDE4D (0.65) PDE4DPDE4APDE4BPDE4CACHE
SCHEMBL3739676 0.84 ACHE (0.56) PDE4DPDE4APDE4BPDE4CACHE
SCHEMBL3743898 0.82 PDE4D (0.73) PDE4DPDE4APDE4BPDE4CACHE
SCHEMBL3744520 0.80 ACHE (0.46) DAOACHE
SCHEMBL3736215 0.80 ACHE (0.46) ACHE
SCHEMBL3740105 0.80 DAO (0.39) PDE4DPDE4APDE4BPDE4CDAO
SCHEMBL3735670 0.80 ACHE (0.46) PDE4DPDE4APDE4BPDE4CDAO
SCHEMBL3740354 0.79 ACHE (0.45) PDE4DDAOACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2114867-B1 AMINOAMIDES AS OREXIN ANTAGONISTS HOFFMANN LA ROCHE (CH) 2012-12-12 EP disclosed
US-7829563-B2 Aminoamides as orexin antagonists HOFFMANN-LA ROCHE INC. (US) 2010-11-09 US disclosed
US-20080221166-A1 AMINOAMIDES AS OREXIN ANTAGONISTS HOFFMANN-LA ROCHE, INC. 2008-09-11 US 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-20080221166-A1 AMINOAMIDES AS OREXIN ANTAGONISTS HCRTR1, HCRTR2, HRH3 PDE4D 2656/4885PDE4A 2570/4885PDE4B 2627/4885

“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.