SCHEMBL3873146

SCHEMBL3873146

CC(C)(C)OC(=O)N1Cc2cnc(C(F)(F)F)nc2C1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DDB1 Q16531 1/20 0.51
CRBN Q96SW2 1/20 0.51
MAPT P10636 3/20 0.49
NR1H2 P55055 2/20 0.42
ABHD6 Q9BV23 2/20 0.39
ESR2 Q92731 1/20 0.39
MAPK1 P28482 2/20 0.38
HDAC1 Q13547 1/20 0.37
HDAC4 P56524 1/20 0.37
LIPG Q9Y5X9 1/20 0.37
CKS1B P61024 1/20 0.37
SKP1 P63208 1/20 0.37
SKP2 Q13309 1/20 0.37
ROCK2 O75116 1/20 0.36
NAMPT P43490 1/20 0.36
GPR119 Q8TDV5 1/20 0.36
CCNA2 P20248 1/20 0.36
CDK2 P24941 1/20 0.36

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
SCHEMBL3133107 0.89 MAPT (0.52) DDB1CRBNMAPTNR1H2ESR2
SCHEMBL4870556 0.89 MAPT (0.63) DDB1CRBNMAPTNR1H2ESR2
SCHEMBL1528506 0.83 DDB1 (0.48) DDB1CRBNMAPTNR1H2ABHD6
SCHEMBL20078108 0.83 DDB1 (0.53) DDB1CRBNMAPTNR1H2ESR2
SCHEMBL18818488 0.83 DDB1 (0.53) DDB1CRBNMAPTNR1H2ESR2
SCHEMBL11929937 0.82 DDB1 (0.55) DDB1CRBNMAPTNR1H2ESR2
SCHEMBL18570958 0.82 DDB1 (0.53) DDB1CRBNMAPTNR1H2ESR2
SCHEMBL15875047 0.82 DDB1 (0.53) DDB1CRBNMAPTNR1H2ABHD6
SCHEMBL17184636 0.82 DDB1 (0.53) DDB1CRBNMAPTNR1H2ABHD6
SCHEMBL13028051 0.81 DDB1 (0.52) DDB1CRBNMAPTNR1H2ESR2

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 9 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
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
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 DDB1 4325/4885CRBN 4032/4885MAPT 2798/4885
US-20060178381-A1 Heterocyclic-substituted phenyl methanones CYP2B6, CYP2D6, CYP1A2 DDB1 4325/4885CRBN 4032/4885MAPT 2798/4885

“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.