SCHEMBL3743902

SCHEMBL3743902

O=C(CCc1ccc(C(F)(F)F)cc1)c1ccc2c(c1)CCCC2

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTNNB1 P35222 2/20 0.51
WNT3A P56704 2/20 0.51
PPARD Q03181 1/20 0.45
PDPK1 O15530 1/20 0.44
MMP1 P03956 1/20 0.43
MAPT P10636 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
GRM1 Q13255 1/20 0.43
ALDH1A1 P00352 1/20 0.43
RXRA P19793 1/20 0.42
RXRB P28702 1/20 0.42
RXRG P48443 1/20 0.42
FFAR1 O14842 1/20 0.42
PTPN1 P18031 1/20 0.42
GSK3B P49841 1/20 0.42
NPC1 O15118 2/20 0.41
HTT P42858 2/20 0.41
RAB9A P51151 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
SMN1; SMN2 Q16637 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
SCHEMBL3734915 0.84 CTNNB1 (0.62) CTNNB1WNT3AMAPTTDP1GRM1
SCHEMBL3730577 0.81 CTNNB1 (0.52) CTNNB1WNT3APPARDMAPTTDP1
SCHEMBL3739273 0.80 CTNNB1 (0.51) CTNNB1WNT3APPARDMAPTTDP1
SCHEMBL3732779 0.79 PDPK1 (0.47) PDPK1MMP1MAPTFFAR1PTPN1
SCHEMBL30089540 0.79 CTNNB1 (0.73) CTNNB1WNT3AMAPTTDP1ALDH1A1
SCHEMBL3729768 0.78 PDPK1 (0.46) PPARDPDPK1MMP1MAPTALDH1A1
SCHEMBL3732559 0.77 CES2 (0.56) CTNNB1WNT3APDPK1ALDH1A1FFAR1
SCHEMBL6201845 0.77 MMP1 (0.54) PDPK1MMP1FFAR1PTPN1GSK3B
SCHEMBL3742835 0.76 CTNNB1 (0.58) CTNNB1WNT3AMAPTTDP1ALDH1A1
SCHEMBL3743178 0.76 CTNNB1 (0.67) CTNNB1WNT3AMAPTTDP1ALDH1A1

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 CTNNB1 2968/4885WNT3A 3424/4885PPARD 2941/4885

“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.