SCHEMBL3743590

SCHEMBL3743590

O=C(CCc1ccc(C(F)(F)F)cc1)c1ccc(F)c(OC(F)(F)F)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.43
PDE4B Q07343 1/20 0.43
PDE4C Q08493 1/20 0.43
PDE4D Q08499 1/20 0.43
PPARA Q07869 2/20 0.42
PPARG P37231 1/20 0.42
ACHE P22303 1/20 0.42
PDPK1 O15530 1/20 0.41
PPARD Q03181 1/20 0.41
MMP1 P03956 1/20 0.41
FFAR1 O14842 3/20 0.40
PTPN1 P18031 1/20 0.39
GSK3B P49841 1/20 0.39
TAAR1 Q96RJ0 1/20 0.39
TRPV1 Q8NER1 1/20 0.39
HDAC1 Q13547 1/20 0.39
F2 P00734 1/20 0.39
F10 P00742 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
PLAAT3 P53816 1/20 0.38

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
SCHEMBL3732779 0.84 PDPK1 (0.47) PDPK1MMP1FFAR1PTPN1GSK3B
SCHEMBL3740105 0.82 DAO (0.39) PDE4APDE4BPDE4CPDE4DACHE
SCHEMBL3742759 0.81 CNR1 (0.46) PDPK1MMP1FFAR1PTPN1GSK3B
SCHEMBL3738007 0.81 PDPK1 (0.44) PPARAPPARGPDPK1PPARDMMP1
SCHEMBL3735519 0.80 ACHE (0.65) PDE4APDE4BPDE4CPDE4DPPARA
SCHEMBL3740908 0.79 MAOB (0.52) PDE4APDE4BPDE4CPDE4DPDPK1
SCHEMBL3743898 0.78 PDE4D (0.73) PDE4APDE4BPDE4CPDE4DPPARA
SCHEMBL3743578 0.78 PPARA (0.49) PDE4APDE4BPDE4CPDE4DPPARA
SCHEMBL6201845 0.77 MMP1 (0.54) PDPK1MMP1FFAR1PTPN1GSK3B
SCHEMBL3740036 0.77 ACHE (0.52) PPARAPPARGACHEPPARDFFAR1

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 5 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
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

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 PDE4A 2570/4885PDE4B 2627/4885PDE4C 3396/4885

“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.