SCHEMBL3875477

SCHEMBL3875477

O=C(OC1NCc2cc(OCCC(F)(F)F)ccc21)C(F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 4/20 0.39
MAOB P27338 2/20 0.39
PPARD Q03181 5/20 0.37
PPARA Q07869 2/20 0.37
ACACB O00763 2/20 0.35
KCNH2 Q12809 4/20 0.34
SCN3A Q9NY46 1/20 0.34
KCNE1 P15382 3/20 0.34
KCNQ1 P51787 3/20 0.34

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
SCHEMBL3883765 0.88 KDM4C (0.40) KDM4CPPARDPPARAKCNH2SCN3A
SCHEMBL3882344 0.84 ABHD6 (0.44) KDM4CACACB
SCHEMBL3875585 0.81 CHRNB2 (0.40) KDM4CSCN3A
SCHEMBL566653 0.77 PNMT (0.43)
SCHEMBL4939233 0.76 ALDH1A1 (0.36)
SCHEMBL3875445 0.76 GPER1 (0.39)
SCHEMBL4237737 0.74 PNMT (0.46) KCNH2
SCHEMBL4782634 0.73 PNMT (0.38)
SCHEMBL384592 0.73 PNMT (0.49)
Trifluoroacetic Acid SCHEMBL3875470 0.72 MAOB (0.44) KDM4CMAOBPPARDACACBKCNH2

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8188139-B2 Heterocyclic-substituted phenyl methanones HOFFMAN-LA ROCHE INC. (US) 2012-05-29 US disclosed
EP-1848694-B1 HETEROCYCLIC SUBSTITUTED PHENYL METHANONES AS INHIBITORS OF THE GLYCINE TRANSPORTER 1 HOFFMANN LA ROCHE (CH) 2009-11-25 EP disclosed
US-20090203665-A1 HETEROCYCLIC-SUBSTITUTED PHENYL METHANONES JOLIDON SYNESE 2009-08-13 US disclosed
US-7557114-B2 Heterocyclic-substituted phenyl methanones HOFFMAN-LA ROCHE INC. (US) 2009-07-07 US disclosed
EP-1848694-A1 HETEROCYCLIC SUBSTITUTED PHENYL METHANONES AS INHIBITORS OF THE GLYCINE TRANSPORTER 1 F. Hoffmann-Roche AG (CH) 2007-10-31 EP disclosed
WO-2006082001-A1 HETEROCYCLIC SUBSTITUTED PHENYL METHANONES AS INHIBITORS OF THE GLYCINE TRANSPORTER 1 F.HOFFMANN-LA ROCHE AG (CH) 2006-08-10 WO disclosed
US-20060178381-A1 Heterocyclic-substituted phenyl methanones HOFFMANN-LA ROCHE INC. 2006-08-10 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 (2 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-20090203665-A1 HETEROCYCLIC-SUBSTITUTED PHENYL METHANONES CYP2B6, CYP2D6, CYP1A2 KDM4C 1369/4885MAOB 424/4885PPARD 407/4885
US-20060178381-A1 Heterocyclic-substituted phenyl methanones CYP2B6, CYP2D6, CYP1A2 KDM4C 1369/4885MAOB 424/4885PPARD 407/4885

“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.