SCHEMBL3870577

SCHEMBL3870577

CC(C)(C)OC(=O)N1Cc2cc(C3CCOCC3)c(C3CC3)cc2C1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
RECQL P46063 1/20 0.45
DDB1 Q16531 2/20 0.45
CRBN Q96SW2 2/20 0.45
NR1H2 P55055 2/20 0.44
HDAC1 Q13547 1/20 0.43
ESR2 Q92731 1/20 0.42
PIK3CA P42336 1/20 0.42
MTOR P42345 1/20 0.42
KDM4E B2RXH2 1/20 0.41
MAPT P10636 1/20 0.41
THRB P10828 1/20 0.41
NAMPT P43490 1/20 0.41
SCN9A Q15858 1/20 0.40
GPR119 Q8TDV5 2/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
MAPK1 P28482 1/20 0.39
PTPN2 P17706 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
SCHEMBL3872899 0.91 USP2 (0.43) USP2SMN1; SMN2RECQLDDB1CRBN
SCHEMBL3872127 0.90 USP2 (0.43) USP2SMN1; SMN2RECQLDDB1CRBN
SCHEMBL3873540 0.89 USP2 (0.42) USP2SMN1; SMN2RECQLDDB1CRBN
SCHEMBL3883124 0.88 USP2 (0.41) USP2SMN1; SMN2RECQLDDB1CRBN
SCHEMBL3880562 0.87 USP2 (0.48) USP2SMN1; SMN2RECQLDDB1CRBN
SCHEMBL3876205 0.84 DDB1 (0.58) USP2SMN1; SMN2RECQLDDB1CRBN
SCHEMBL3874364 0.83 DDB1 (0.41) USP2SMN1; SMN2RECQLDDB1CRBN
SCHEMBL3871594 0.80 DDB1 (0.42) USP2SMN1; SMN2RECQLDDB1CRBN
SCHEMBL3874071 0.77 CPT2 (0.48) USP2SMN1; SMN2DDB1CRBNNR1H2
SCHEMBL23210070 0.76 GPR119 (0.57) USP2SMN1; SMN2RECQLKDM4EMAPT

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 11 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
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 963/4885RECQL 701/4885
US-20060178381-A1 Heterocyclic-substituted phenyl methanones CYP2B6, CYP2D6, CYP1A2 USP2 4662/4885SMN1; SMN2 963/4885RECQL 701/4885

“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.