SCHEMBL3735519

SCHEMBL3735519

COc1ccc(C(=O)CCc2ccc(C(F)(F)F)cc2)cc1OC

nearest known ligand 0.65

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ACHE P22303 3/20 0.65
PPARA Q07869 4/20 0.56
PPARG P37231 1/20 0.56
PPARD Q03181 2/20 0.56
CTNNB1 P35222 2/20 0.55
WNT3A P56704 2/20 0.55
ALDH1A1 P00352 1/20 0.50
MAPT P10636 3/20 0.49
NPC1 O15118 1/20 0.49
LMNA P02545 1/20 0.49
HTT P42858 1/20 0.49
PDE4A P27815 2/20 0.48
PDE4B Q07343 2/20 0.48
PDE4C Q08493 2/20 0.48
PDE4D Q08499 2/20 0.48
TSHR P16473 1/20 0.48
FFAR1 O14842 1/20 0.47
FFAR2 O15552 1/20 0.47
FFAR4 Q5NUL3 1/20 0.47

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
SCHEMBL3736174 0.91 ACHE (0.55) ACHEPPARAPPARGPPARDCTNNB1
SCHEMBL3743334 0.91 ACHE (0.55) ACHEPPARAPPARGPPARDCTNNB1
SCHEMBL15988925 0.89 CTNNB1 (0.68) ACHEPPARAPPARDCTNNB1WNT3A
SCHEMBL3740036 0.89 ACHE (0.52) ACHEPPARAPPARGPPARDMAPT
SCHEMBL3734624 0.86 ACHE (0.58) ACHEPPARAPPARDCTNNB1WNT3A
SCHEMBL3730274 0.85 ACHE (0.70) ACHECTNNB1WNT3AALDH1A1MAPT
SCHEMBL3743578 0.85 PPARA (0.49) ACHEPPARAPPARGPPARDMAPT
SCHEMBL3739281 0.84 PDE4B (0.57) ACHEPPARAPPARGPPARDPDE4A
SCHEMBL3736129 0.83 CTNNB1 (0.78) ACHECTNNB1WNT3AALDH1A1MAPT
SCHEMBL28658865 0.83 NPC1 (0.66) ALDH1A1MAPTNPC1LMNAPDE4B

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 ACHE 3848/4885PPARA 2560/4885PPARG 3359/4885

“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.