SCHEMBL3739281

SCHEMBL3739281

CC(C)Oc1ccc(C(=O)CCc2ccc(C(F)(F)F)cc2)cc1OC(C)C

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 4/20 0.57
PDE4A P27815 3/20 0.57
PDE4C Q08493 3/20 0.57
PDE4D Q08499 3/20 0.57
PPARA Q07869 6/20 0.48
PPARG P37231 1/20 0.48
ACHE P22303 2/20 0.46
PPARD Q03181 5/20 0.45
RXRA P19793 1/20 0.43
RXRB P28702 1/20 0.43
RXRG P48443 1/20 0.43
FFAR1 O14842 1/20 0.42
PDPK1 O15530 1/20 0.41
MMP1 P03956 1/20 0.40
HRH3 Q9Y5N1 1/20 0.40
MAOB P27338 1/20 0.40

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
SCHEMBL3743334 0.94 ACHE (0.55) PDE4BPDE4APDE4CPDE4DPPARA
SCHEMBL3736174 0.94 ACHE (0.55) PDE4BPDE4APDE4CPDE4DPPARA
SCHEMBL3743898 0.89 PDE4D (0.73) PDE4BPDE4APDE4CPDE4DPPARA
SCHEMBL3735519 0.84 ACHE (0.65) PDE4BPDE4APDE4CPDE4DPPARA
SCHEMBL3743578 0.81 PPARA (0.49) PDE4BPDE4APDE4CPDE4DPPARA
SCHEMBL3740036 0.78 ACHE (0.52) PPARAPPARGACHEPPARDFFAR1
SCHEMBL4431572 0.77 RXRA (0.52) PPARAPPARDRXRARXRBRXRG
SCHEMBL3729768 0.77 PDPK1 (0.46) PPARAPPARGPPARDFFAR1PDPK1
SCHEMBL3743590 0.77 PDE4A (0.43) PDE4BPDE4APDE4CPDE4DPPARA
SCHEMBL28658865 0.75 NPC1 (0.66) PDE4BMMP1MAOB

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 PDE4B 2627/4885PDE4A 2570/4885PDE4C 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.