SCHEMBL3872899

SCHEMBL3872899

Cc1cc2c(cc1C1CCOCC1)CN(C(=O)OC(C)(C)C)C2

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
DDB1 Q16531 2/20 0.43
CRBN Q96SW2 2/20 0.43
RECQL P46063 1/20 0.42
NR1H2 P55055 2/20 0.42
HDAC1 Q13547 1/20 0.41
PIK3CA P42336 1/20 0.40
MTOR P42345 1/20 0.40
ESR2 Q92731 1/20 0.40
GPR119 Q8TDV5 3/20 0.39
KDM4E B2RXH2 1/20 0.39
MAPT P10636 1/20 0.39
THRB P10828 1/20 0.39
NAMPT P43490 1/20 0.39
SCN9A Q15858 1/20 0.39
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
MAPK1 P28482 1/20 0.37

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 0.91 USP2 (0.47) USP2SMN1; SMN2DDB1CRBNRECQL
SCHEMBL3872127 0.87 USP2 (0.43) USP2SMN1; SMN2DDB1CRBNRECQL
SCHEMBL3873540 0.86 USP2 (0.42) USP2SMN1; SMN2DDB1CRBNRECQL
SCHEMBL3883124 0.85 USP2 (0.41) USP2SMN1; SMN2DDB1CRBNRECQL
SCHEMBL3880562 0.81 USP2 (0.48) USP2SMN1; SMN2DDB1CRBNRECQL
SCHEMBL3876205 0.81 DDB1 (0.58) USP2SMN1; SMN2DDB1CRBNRECQL
SCHEMBL3874364 0.80 DDB1 (0.41) USP2SMN1; SMN2DDB1CRBNRECQL
SCHEMBL3872415 0.78 USP2 (0.52) USP2SMN1; SMN2RECQLNR1H2HDAC1
SCHEMBL3871594 0.74 DDB1 (0.42) USP2SMN1; SMN2DDB1CRBNRECQL
SCHEMBL3874071 0.74 CPT2 (0.48) USP2SMN1; SMN2DDB1CRBNNR1H2

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 USP2 4662/4885SMN1; SMN2 963/4885DDB1 4325/4885
US-20060178381-A1 Heterocyclic-substituted phenyl methanones CYP2B6, CYP2D6, CYP1A2 USP2 4662/4885SMN1; SMN2 963/4885DDB1 4325/4885

“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.