SCHEMBL3740105

SCHEMBL3740105

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

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DAO P14920 2/20 0.39
PDE4A P27815 1/20 0.37
PDE4B Q07343 1/20 0.37
PDE4C Q08493 1/20 0.37
PDE4D Q08499 1/20 0.37
MRGPRX4 Q96LA9 1/20 0.37
TRPM8 Q7Z2W7 2/20 0.37
PPARD Q03181 1/20 0.36
RXRA P19793 1/20 0.36
RXRB P28702 1/20 0.36
RXRG P48443 1/20 0.36
ACHE P22303 1/20 0.36
SCN5A Q14524 1/20 0.35
SCN9A Q15858 1/20 0.35
KCNN4 O15554 2/20 0.35
TRPV1 Q8NER1 1/20 0.35

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
SCHEMBL3744520 0.89 ACHE (0.46) DAOACHE
SCHEMBL3743226 0.83 PIM1 (0.42) DAOMRGPRX4TRPM8PPARD
SCHEMBL3743590 0.82 PDE4A (0.43) PDE4APDE4BPDE4CPDE4DPPARD
SCHEMBL3734552 0.82 VNN1 (0.46) DAOMRGPRX4TRPM8
SCHEMBL3736215 0.82 ACHE (0.46) PPARDACHE
SCHEMBL3739676 0.82 ACHE (0.56) PDE4APDE4BPDE4CPDE4DACHE
SCHEMBL3747705 0.81 MRGPRX4 (0.47) DAOMRGPRX4TRPM8
SCHEMBL3735670 0.80 ACHE (0.46) DAOPDE4APDE4BPDE4CPDE4D
SCHEMBL3732785 0.80 PDE4D (0.62) DAOPDE4APDE4BPDE4CPDE4D
SCHEMBL3740354 0.79 ACHE (0.45) DAOPDE4DACHE

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 DAO 483/4885PDE4A 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.