SCHEMBL3880562

SCHEMBL3880562

CC(C)(C)OC(=O)N1Cc2cc(C3CC3)c(N3CCOCC3)cc2C1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
PIK3CA P42336 1/20 0.47
MTOR P42345 1/20 0.47
RECQL P46063 1/20 0.46
USP30 Q70CQ3 2/20 0.45
GPR119 Q8TDV5 3/20 0.44
NR1H2 P55055 1/20 0.43
ABHD6 Q9BV23 2/20 0.42
IDH1 O75874 1/20 0.42
DDB1 Q16531 1/20 0.41
CRBN Q96SW2 1/20 0.41
ESR2 Q92731 1/20 0.41
KDM4E B2RXH2 1/20 0.40
MAPT P10636 1/20 0.40
THRB P10828 1/20 0.40
NAMPT P43490 1/20 0.40
HDAC1 Q13547 1/20 0.39
TGFBR1 P36897 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
SCHEMBL3870577 0.87 USP2 (0.47) USP2SMN1; SMN2PIK3CAMTORRECQL
SCHEMBL3872415 0.83 USP2 (0.52) USP2SMN1; SMN2PIK3CAMTORRECQL
SCHEMBL3870832 0.82 USP30 (0.52) USP2SMN1; SMN2PIK3CAMTORRECQL
SCHEMBL3874047 0.82 SMN1; SMN2 (0.51) USP2SMN1; SMN2PIK3CAMTORRECQL
SCHEMBL3872899 0.81 USP2 (0.43) USP2SMN1; SMN2PIK3CAMTORRECQL
SCHEMBL3872127 0.80 USP2 (0.43) USP2SMN1; SMN2PIK3CAMTORRECQL
SCHEMBL3874016 0.80 SMN1; SMN2 (0.49) USP2SMN1; SMN2PIK3CAMTORRECQL
SCHEMBL3873540 0.79 USP2 (0.42) USP2SMN1; SMN2PIK3CAMTORRECQL
SCHEMBL3883124 0.78 USP2 (0.41) USP2SMN1; SMN2PIK3CAMTORRECQL
SCHEMBL2809581 0.77 ABHD6 (0.67) USP2SMN1; SMN2PIK3CAMTORUSP30

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 14 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
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 USP2 4662/4885SMN1; SMN2 963/4885PIK3CA 3756/4885
US-20060178381-A1 Heterocyclic-substituted phenyl methanones CYP2B6, CYP2D6, CYP1A2 USP2 4662/4885SMN1; SMN2 963/4885PIK3CA 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.