SCHEMBL3876205

SCHEMBL3876205

CC(C)(C)OC(=O)N1Cc2ccc(C3CCOCC3)cc2C1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DDB1 Q16531 1/20 0.58
CRBN Q96SW2 1/20 0.58
NAMPT P43490 3/20 0.51
SLC6A9 P48067 4/20 0.50
HDAC1 Q13547 1/20 0.48
ESR2 Q92731 1/20 0.48
NR1H2 P55055 1/20 0.47
CPT2 P23786 2/20 0.46
CPT1A P50416 2/20 0.46
PIK3CA P42336 1/20 0.46
MTOR P42345 1/20 0.46
USP2 O75604 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
RECQL P46063 1/20 0.42
PDE4B Q07343 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
ABHD6 Q9BV23 1/20 0.41

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
SCHEMBL3873357 0.86 DDB1 (0.54) DDB1CRBNNAMPTSLC6A9HDAC1
SCHEMBL3870577 0.84 USP2 (0.47) DDB1CRBNNAMPTHDAC1ESR2
SCHEMBL21326152 0.81 NR1H2 (0.67) DDB1CRBNNAMPTHDAC1ESR2
SCHEMBL29587827 0.81 NR1H2 (0.67) DDB1CRBNNAMPTHDAC1ESR2
SCHEMBL21326057 0.81 ESR2 (0.69) DDB1CRBNNAMPTHDAC1ESR2
SCHEMBL29587332 0.81 ESR2 (0.69) DDB1CRBNNAMPTHDAC1ESR2
SCHEMBL3874071 0.81 CPT2 (0.48) DDB1CRBNHDAC1ESR2NR1H2
SCHEMBL23149209 0.81 USP2 (0.49) NAMPTUSP2SMN1; SMN2RECQLPDE4B
SCHEMBL3872899 0.81 USP2 (0.43) DDB1CRBNNAMPTHDAC1ESR2
SCHEMBL3872127 0.80 USP2 (0.43) DDB1CRBNNAMPTHDAC1ESR2

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 DDB1 4325/4885CRBN 4032/4885NAMPT 4416/4885
US-20060178381-A1 Heterocyclic-substituted phenyl methanones CYP2B6, CYP2D6, CYP1A2 DDB1 4325/4885CRBN 4032/4885NAMPT 4416/4885

“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.