SCHEMBL3882344

SCHEMBL3882344

O=C(OC1NCc2cc(OCC3CC3)ccc21)C(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ABHD6 Q9BV23 1/20 0.44
PARP10 Q53GL7 8/20 0.41
PARP15 Q460N3 7/20 0.41
PARP2 Q9UGN5 2/20 0.41
SCN9A Q15858 1/20 0.39
PDK2 Q15119 1/20 0.38
ACACB O00763 2/20 0.38
ACACA Q13085 2/20 0.38
FFAR1 O14842 3/20 0.36
KDM4C Q9H3R0 1/20 0.36
FFAR4 Q5NUL3 1/20 0.35
F10 P00742 1/20 0.35
ITGB3 P05106 1/20 0.35
ITGA2B P08514 1/20 0.35

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 0.86 KDM4C (0.40) KDM4C
SCHEMBL3875477 0.84 KDM4C (0.39) ACACBKDM4C
SCHEMBL3875585 0.81 CHRNB2 (0.40) KDM4C
SCHEMBL3875445 0.78 GPER1 (0.39) F10
SCHEMBL566653 0.77 PNMT (0.43)
SCHEMBL4237737 0.76 PNMT (0.46)
SCHEMBL4939233 0.76 ALDH1A1 (0.36)
SCHEMBL4782634 0.73 PNMT (0.38)
SCHEMBL384592 0.73 PNMT (0.49)
Trifluoroacetic Acid SCHEMBL3882339 0.72 ABHD6 (0.51) ABHD6PARP10PARP15PARP2SCN9A

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
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
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 ABHD6 2271/4885PARP10 2177/4885PARP15 2180/4885
US-20060178381-A1 Heterocyclic-substituted phenyl methanones CYP2B6, CYP2D6, CYP1A2 ABHD6 2271/4885PARP10 2177/4885PARP15 2180/4885

“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.