SCHEMBL3740908

SCHEMBL3740908

O=C(CCc1ccc(C(F)(F)F)cc1)c1cccc(OC(F)(F)F)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.52
FFAR1 O14842 2/20 0.52
PDPK1 O15530 1/20 0.48
ALDH1A1 P00352 1/20 0.47
MAPT P10636 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
F2 P00734 1/20 0.45
F10 P00742 1/20 0.45
KAT6A Q92794 2/20 0.45
FFAR4 Q5NUL3 1/20 0.44
MRGPRX4 Q96LA9 2/20 0.44
NR4A2 P43354 1/20 0.43
VNN1 O95497 1/20 0.43
SLC13A5 Q86YT5 1/20 0.43
ROCK2 O75116 1/20 0.43
ROCK1 Q13464 1/20 0.43
MAPK14 Q16539 1/20 0.43
TRPV1 Q8NER1 1/20 0.42
FFAR2 O15552 1/20 0.42
PDE4A P27815 1/20 0.41

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
SCHEMBL3744917 0.89 PDE4A (0.52) MAOBFFAR1PDPK1ALDH1A1MAPT
SCHEMBL14306005 0.88 ALDH1A1 (0.60) MAOBFFAR1PDPK1ALDH1A1MAPT
SCHEMBL3732559 0.84 CES2 (0.56) MAOBFFAR1PDPK1ALDH1A1F2
SCHEMBL3747705 0.82 MRGPRX4 (0.47) MAOBFFAR1ALDH1A1MAPTTDP1
SCHEMBL3863951 0.82 MAOB (0.50) MAOBFFAR1PDPK1ALDH1A1MAPT
SCHEMBL3732820 0.80 PDPK1 (0.51) MAOBFFAR1PDPK1TDP1F2
SCHEMBL3738051 0.80 PDPK1 (0.51) MAOBFFAR1PDPK1TDP1F2
SCHEMBL658098 0.79 PDPK1 (0.67) FFAR1PDPK1MAPTTDP1FFAR4
SCHEMBL3743590 0.79 PDE4A (0.43) MAOBFFAR1PDPK1F2F10
SCHEMBL28012694 0.78 NPC1 (0.59) FFAR1MAPTTDP1FFAR4MRGPRX4

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 11 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
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-7829563-B2 Aminoamides as orexin antagonists HOFFMANN-LA ROCHE INC. (US) 2010-11-09 US disclosed
US-7829563-B2 Aminoamides as orexin antagonists HOFFMANN-LA ROCHE INC. (US) 2010-11-09 US disclosed
EP-2114867-A1 AMINOAMIDES AS OREXIN ANTAGONISTS F. Hoffmann-Roche AG (CH) 2009-11-11 EP disclosed
WO-2008107335-A1 AMINOAMIDES AS OREXIN ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2008-09-12 WO disclosed
WO-2008107335-A1 AMINOAMIDES AS OREXIN ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2008-09-12 WO disclosed
US-20080221166-A1 AMINOAMIDES AS OREXIN ANTAGONISTS HOFFMANN-LA ROCHE, INC. 2008-09-11 US disclosed
US-20080221166-A1 AMINOAMIDES AS OREXIN ANTAGONISTS HOFFMANN-LA ROCHE, INC. 2008-09-11 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 MAOB 716/4885FFAR1 189/4885PDPK1 2854/4885

“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.