SCHEMBL3735670

SCHEMBL3735670

COc1cc(C(=O)CCc2ccc(C(F)(F)F)nc2)ccc1C

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ACHE P22303 3/20 0.46
CTNNB1 P35222 3/20 0.41
WNT3A P56704 3/20 0.41
ALDH1A1 P00352 2/20 0.41
PAX8 Q06710 1/20 0.41
PPARD Q03181 2/20 0.40
FFAR1 O14842 1/20 0.40
FFAR2 O15552 1/20 0.40
FFAR4 Q5NUL3 1/20 0.40
DAO P14920 1/20 0.39
CSF1R P07333 1/20 0.39
PPARA Q07869 1/20 0.38
PDE4A P27815 1/20 0.37
PDE4B Q07343 1/20 0.37
PDE4C Q08493 1/20 0.37
PDE4D Q08499 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
SCHEMBL3739676 0.91 ACHE (0.56) ACHECTNNB1WNT3AALDH1A1PAX8
SCHEMBL3744520 0.89 ACHE (0.46) ACHECTNNB1WNT3AALDH1A1DAO
SCHEMBL3740354 0.88 ACHE (0.45) ACHECTNNB1WNT3AALDH1A1PAX8
SCHEMBL3747714 0.87 DAO (0.43) ALDH1A1PPARDDAO
SCHEMBL3736215 0.87 ACHE (0.46) ACHEALDH1A1PPARDCSF1RPPARA
SCHEMBL3743868 0.85 PDE4A (0.55) ACHECTNNB1WNT3AALDH1A1PAX8
SCHEMBL3741591 0.84 PPARD (0.41) ALDH1A1PPARDDAO
SCHEMBL3743226 0.83 PIM1 (0.42) PPARDFFAR1DAO
SCHEMBL3740298 0.82 PPARD (0.41) PPARDDAO
SCHEMBL3732785 0.80 PDE4D (0.62) ACHEDAOPDE4APDE4BPDE4C

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 ACHE 3848/4885CTNNB1 2968/4885WNT3A 3424/4885

“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.