SCHEMBL3741591

SCHEMBL3741591

Cc1ccc(C(=O)CCc2ccc(C(F)(F)F)nc2)cc1Cl

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 1/20 0.41
ALDH1A1 P00352 3/20 0.41
MAPT P10636 3/20 0.41
DAO P14920 2/20 0.40
CYP1A2 P05177 3/20 0.39
CYP2C19 P33261 3/20 0.39
CYP3A4 P08684 2/20 0.39
CYP2C9 P11712 1/20 0.39
SSTR5 P35346 1/20 0.38
CYP2D6 P10635 1/20 0.38
HSD17B13 Q7Z5P4 1/20 0.37
TKT P29401 1/20 0.37
TRPM8 Q7Z2W7 2/20 0.37
KDM4E B2RXH2 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
SCHEMBL3740298 0.91 PPARD (0.41) PPARDDAOCYP1A2CYP2C19CYP3A4
SCHEMBL3732884 0.89 DAO (0.43) DAOHSD17B13TRPM8
SCHEMBL3747714 0.89 DAO (0.43) PPARDALDH1A1MAPTDAOTKT
SCHEMBL3743226 0.85 PIM1 (0.42) PPARDDAOTKTTRPM8
SCHEMBL3735670 0.84 ACHE (0.46) PPARDALDH1A1DAO
SCHEMBL3740354 0.83 ACHE (0.45) ALDH1A1MAPTDAO
SCHEMBL3729763 0.82 CNR1 (0.45) PPARDALDH1A1MAPTCYP1A2CYP2C19
SCHEMBL3739872 0.81 GRM5 (0.47) ALDH1A1DAOCYP2C19CYP3A4
SCHEMBL3740255 0.81 DAO (0.42) PPARDDAOHSD17B13
SCHEMBL3739676 0.79 ACHE (0.56) ALDH1A1MAPTCYP1A2CYP2C19CYP3A4

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 PPARD 2941/4885ALDH1A1 1610/4885MAPT 2958/4885

“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.