SCHEMBL3747714

SCHEMBL3747714

Cc1ccc(C(=O)CCc2ccc(C(F)(F)F)nc2)cc1C

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DAO P14920 2/20 0.43
PPARD Q03181 1/20 0.41
MAPK1 P28482 1/20 0.40
TKT P29401 1/20 0.39
TP53 P04637 1/20 0.39
ALDH1A1 P00352 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
LMNA P02545 2/20 0.38
MAPT P10636 2/20 0.38
HPGD P15428 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MRGPRX4 Q96LA9 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
ALOX12 P18054 1/20 0.37
GAA P10253 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
SCHEMBL3743226 0.90 PIM1 (0.42) DAOPPARDTKTMRGPRX4
SCHEMBL3741591 0.89 PPARD (0.41) DAOPPARDTKTALDH1A1MAPT
SCHEMBL3740298 0.89 PPARD (0.41) DAOPPARDTKT
SCHEMBL3735670 0.87 ACHE (0.46) DAOPPARDALDH1A1
SCHEMBL3732884 0.82 DAO (0.43) DAOMRGPRX4
SCHEMBL3739676 0.82 ACHE (0.56) ALDH1A1SMN1; SMN2LMNAMAPTMEN1
SCHEMBL3730577 0.81 CTNNB1 (0.52) DAOPPARDALDH1A1SMN1; SMN2MAPT
SCHEMBL3729768 0.80 PDPK1 (0.46) PPARDALDH1A1MAPT
SCHEMBL3736215 0.80 ACHE (0.46) PPARDMAPK1ALDH1A1LMNAMAPT
SCHEMBL3744520 0.80 ACHE (0.46) DAOALDH1A1

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 483/4885PPARD 2941/4885MAPK1 2009/4885

“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.