SCHEMBL3883765

SCHEMBL3883765

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 3/20 0.40
KDM6B O15054 2/20 0.40
ALDH1A1 P00352 2/20 0.40
POLB P06746 1/20 0.40
KDM4E B2RXH2 1/20 0.38
PPARD Q03181 2/20 0.38
PPARA Q07869 2/20 0.38
LMNA P02545 5/20 0.38
CYP1A2 P05177 3/20 0.38
CYP2D6 P10635 2/20 0.38
CYP2C9 P11712 2/20 0.38
CYP3A4 P08684 1/20 0.38
TSHR P16473 1/20 0.38
CYP2C19 P33261 1/20 0.38
CACNA1F O60840 1/20 0.38
KCNA5 P22460 1/20 0.38
SLC6A2 P23975 1/20 0.38
ADRA1A P35348 1/20 0.38
OPRK1 P41145 1/20 0.38
CACNA1D Q01668 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
SCHEMBL3875477 0.88 KDM4C (0.39) KDM4CPPARDPPARAKCNH2SCN3A
SCHEMBL3882344 0.86 ABHD6 (0.44) KDM4C
SCHEMBL3875585 0.83 CHRNB2 (0.40) KDM4CALDH1A1POLBKDM4ELMNA
SCHEMBL566653 0.79 PNMT (0.43)
SCHEMBL4939233 0.78 ALDH1A1 (0.36) ALDH1A1KDM4ESMN1; SMN2NPSR1MAPT
SCHEMBL3875445 0.77 GPER1 (0.39)
SCHEMBL4237737 0.76 PNMT (0.46) CYP2C9CYP3A4CYP2C19KCNH2
SCHEMBL4782634 0.75 PNMT (0.38) ALDH1A1POLBKDM4ELMNACYP1A2
SCHEMBL384592 0.75 PNMT (0.49)
SCHEMBL21800309 0.73 ALDH1A1 (0.41) ALDH1A1KDM4ECYP2D6CYP2C9SMN1; SMN2

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 1369/4885KDM6B 1934/4885ALDH1A1 52/4885
US-20060178381-A1 Heterocyclic-substituted phenyl methanones CYP2B6, CYP2D6, CYP1A2 KDM4C 1369/4885KDM6B 1934/4885ALDH1A1 52/4885

“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.