SCHEMBL3737523

SCHEMBL3737523

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 6/20 0.49
PPARD Q03181 4/20 0.49
STAT3 P40763 1/20 0.49
TMEM97 Q5BJF2 1/20 0.47
PPARG P37231 2/20 0.46
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
PTPN7 P35236 1/20 0.44
DUSP3 P51452 1/20 0.44
MMP1 P03956 1/20 0.43
AKR1C3 P42330 1/20 0.43
AKR1C2 P52895 1/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
SLC22A1 O15245 1/20 0.43
ADRB2 P07550 1/20 0.43
CHRM2 P08172 1/20 0.43
ADRB1 P08588 1/20 0.43
CYP3A4 P08684 1/20 0.43

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
SCHEMBL3733088 0.90 TMEM97 (0.46) PPARAPPARDSTAT3TMEM97PPARG
SCHEMBL3732696 0.87 PPARA (0.47) PPARAPPARDSTAT3TMEM97PPARG
SCHEMBL13078133 0.85 STAT3 (0.52) PPARAPPARDSTAT3PPARGALDH1A1
SCHEMBL3734305 0.82 MEN1 (0.60) TMEM97MEN1KMT2APTPN7DUSP3
SCHEMBL25688714 0.79 AKR1C3 (0.49) PPARAPPARDPPARGMEN1KMT2A
SCHEMBL10335590 0.78 PPARG (0.61) PPARAPPARDSTAT3PPARGKMT2A
SCHEMBL10414961 0.77 STAT3 (0.60) PPARAPPARDSTAT3PPARGALDH1A1
SCHEMBL4429764 0.76 CASR (0.41) PPARAPPARDTMEM97PPARGMEN1
SCHEMBL4433951 0.76 AKR1C3 (0.50) PPARAPPARDPPARGMEN1KMT2A
SCHEMBL8163865 0.75 PPARA (0.48) PPARAPPARDPPARGMEN1KMT2A

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 8 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
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
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 PPARA 2560/4885PPARD 2941/4885STAT3 2481/4885

“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.