SCHEMBL3737832

SCHEMBL3737832

CC(C)Oc1ccc(/C=C/C(=O)c2ccc(C(F)(F)F)cc2)cc1OC(C)C

nearest known ligand 0.65

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CXCL12 P48061 1/20 0.65
PDE4A P27815 1/20 0.60
PDE4B Q07343 1/20 0.60
PDE4C Q08493 1/20 0.60
PDE4D Q08499 1/20 0.60
CYP1A1 P04798 9/20 0.59
CYP1B1 Q16678 9/20 0.59
MAOB P27338 4/20 0.58
P4HB P07237 1/20 0.56
ABCG2 Q9UNQ0 2/20 0.54
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
TNFRSF1A P19438 1/20 0.50

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
SCHEMBL3734789 0.94 CXCL12 (0.71) CXCL12PDE4APDE4BPDE4CPDE4D
SCHEMBL3729579 0.94 CXCL12 (0.71) CXCL12PDE4APDE4BPDE4CPDE4D
SCHEMBL3737833 0.93 CYP1A1 (0.59) CXCL12PDE4APDE4BPDE4CPDE4D
SCHEMBL3743243 0.89 CXCL12 (0.63) CXCL12CYP1A1CYP1B1MAOBP4HB
SCHEMBL3729582 0.87 PDE4A (0.65) CXCL12PDE4APDE4BPDE4CPDE4D
SCHEMBL3734791 0.87 ABCG2 (0.64) CXCL12PDE4APDE4BPDE4CPDE4D
SCHEMBL3735096 0.84 CXCL12 (0.81) CXCL12PDE4APDE4BPDE4CPDE4D
SCHEMBL3735818 0.81 CYP1A1 (0.72) CXCL12PDE4APDE4BPDE4CPDE4D
SCHEMBL25197205 0.79 CXCL12 (0.82) CXCL12CYP1A1CYP1B1MAOBP4HB
SCHEMBL25190964 0.79 CXCL12 (0.82) CXCL12CYP1A1CYP1B1MAOBP4HB

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 CXCL12 3739/4885PDE4A 2570/4885PDE4B 2627/4885

“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.