SCHEMBL3874016

SCHEMBL3874016

CC(C)(C)OC(=O)N1Cc2cc(N3CCOCC3)c(C(F)(F)F)cc2C1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.49
USP2 O75604 1/20 0.49
PIK3CA P42336 1/20 0.48
MTOR P42345 1/20 0.48
ABHD6 Q9BV23 1/20 0.47
TP53 P04637 1/20 0.44
MAPT P10636 1/20 0.44
THRB P10828 1/20 0.44
NR1H2 P55055 1/20 0.44
USP30 Q70CQ3 2/20 0.43
GPR119 Q8TDV5 1/20 0.43
AKR1C3 P42330 1/20 0.42
ESR2 Q92731 1/20 0.42
RECQL P46063 1/20 0.41
HDAC1 Q13547 1/20 0.40
ALDH1A1 P00352 1/20 0.40
NAMPT P43490 1/20 0.39
MAPK1 P28482 1/20 0.39

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
SCHEMBL3870832 0.85 USP30 (0.52) SMN1; SMN2USP2PIK3CAMTORABHD6
SCHEMBL3872415 0.84 USP2 (0.52) SMN1; SMN2USP2PIK3CAMTORABHD6
SCHEMBL3874047 0.83 SMN1; SMN2 (0.51) SMN1; SMN2USP2PIK3CAMTORABHD6
SCHEMBL3880562 0.80 USP2 (0.48) SMN1; SMN2USP2PIK3CAMTORABHD6
SCHEMBL3883124 0.79 USP2 (0.41) SMN1; SMN2USP2PIK3CAMTORABHD6
SCHEMBL2809581 0.78 ABHD6 (0.67) SMN1; SMN2USP2PIK3CAMTORABHD6
SCHEMBL23727968 0.77 HDAC1 (0.47) ABHD6MAPTNR1H2GPR119ESR2
SCHEMBL29835126 0.77 HDAC1 (0.47) ABHD6MAPTNR1H2GPR119ESR2
SCHEMBL3875268 0.77 NR1H2 (0.46) SMN1; SMN2USP2ABHD6MAPTNR1H2
SCHEMBL3874817 0.76 NR1H2 (0.45) ABHD6MAPTNR1H2GPR119ESR2

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 13 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
US-8188139-B2 Heterocyclic-substituted phenyl methanones HOFFMAN-LA ROCHE INC. (US) 2012-05-29 US disclosed
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-20090203665-A1 HETEROCYCLIC-SUBSTITUTED PHENYL METHANONES JOLIDON SYNESE 2009-08-13 US 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-7557114-B2 Heterocyclic-substituted phenyl methanones HOFFMAN-LA ROCHE INC. (US) 2009-07-07 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 SMN1; SMN2 963/4885USP2 4662/4885PIK3CA 3756/4885
US-20060178381-A1 Heterocyclic-substituted phenyl methanones CYP2B6, CYP2D6, CYP1A2 SMN1; SMN2 963/4885USP2 4662/4885PIK3CA 3756/4885

“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.