SCHEMBL3744520

SCHEMBL3744520

COc1cc(C(=O)CCc2ccc(C(F)(F)F)nc2)ccc1F

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.46
TAS2R14 Q9NYV8 1/20 0.41
ALDH1A1 P00352 1/20 0.41
CSF1R P07333 1/20 0.41
ROCK2 O75116 1/20 0.40
ROCK1 Q13464 1/20 0.40
DAO P14920 1/20 0.39
CTNNB1 P35222 1/20 0.39
WNT3A P56704 1/20 0.39

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
SCHEMBL3736215 0.91 ACHE (0.46) ACHETAS2R14ALDH1A1CSF1R
SCHEMBL3739676 0.91 ACHE (0.56) ACHEALDH1A1CTNNB1WNT3A
SCHEMBL3735670 0.89 ACHE (0.46) ACHEALDH1A1CSF1RDAOCTNNB1
SCHEMBL3740105 0.89 DAO (0.39) ACHEDAO
SCHEMBL3740354 0.88 ACHE (0.45) ACHEALDH1A1CSF1RROCK2ROCK1
SCHEMBL3743868 0.85 PDE4A (0.55) ACHEALDH1A1CTNNB1WNT3A
SCHEMBL3743226 0.85 PIM1 (0.42) DAO
SCHEMBL3729921 0.84 DAO (0.40) CSF1RDAO
SCHEMBL3747714 0.80 DAO (0.43) ALDH1A1DAO
SCHEMBL3732785 0.80 PDE4D (0.62) ACHEDAO

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 3848/4885TAS2R14 996/4885ALDH1A1 1610/4885

“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.