SCHEMBL3786536

SCHEMBL3786536

CC(C)(C)OC(=O)N1CCC(C(O)c2ccccc2C(C)(C)F)CC1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EED O75530 1/20 0.50
RBBP4 Q09028 1/20 0.50
SUZ12 Q15022 1/20 0.50
EZH2 Q15910 1/20 0.50
AEBP2 Q6ZN18 1/20 0.50
GPR119 Q8TDV5 8/20 0.49
DPP4 P27487 1/20 0.45
KDM4E B2RXH2 1/20 0.45
PKM P14618 1/20 0.45
IDO1 P14902 3/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
NPC1 O15118 1/20 0.43
ALDH1A1 P00352 1/20 0.43
MAPT P10636 1/20 0.43
MAPK1 P28482 1/20 0.43
HTT P42858 1/20 0.43
RAB9A P51151 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43

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
SCHEMBL31602756 0.86 GPR119 (0.56) EEDRBBP4SUZ12EZH2AEBP2
SCHEMBL1249505 0.81 EED (0.50) EEDRBBP4SUZ12EZH2AEBP2
SCHEMBL3852714 0.81 EED (0.50) EEDRBBP4SUZ12EZH2AEBP2
SCHEMBL1249503 0.81 EED (0.50) EEDRBBP4SUZ12EZH2AEBP2
SCHEMBL25994396 0.81 MMP13 (0.50) EEDRBBP4SUZ12EZH2AEBP2
SCHEMBL30607205 0.81 GPR119 (0.49) EEDRBBP4SUZ12EZH2AEBP2
SCHEMBL21050110 0.81 GPR119 (0.49) EEDRBBP4SUZ12EZH2AEBP2
SCHEMBL19617395 0.81 GPR119 (0.49) EEDRBBP4SUZ12EZH2AEBP2
SCHEMBL13791900 0.81 GPR119 (0.52) EEDRBBP4SUZ12EZH2AEBP2
SCHEMBL1405370 0.80 GPR119 (0.59) EEDRBBP4SUZ12EZH2AEBP2

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2398796-A1 HETEROCYCLIC DERIVATIVES AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE Merck Canada Inc. (CA) 2011-12-28 EP disclosed
US-20110301143-A1 HETEROCYCLIC DERIVATIVES AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE MERCK CANADA INC. (CA) 2011-12-08 US disclosed
US-20110301143-A1 HETEROCYCLIC DERIVATIVES AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE MERCK CANADA INC. (CA) 2011-12-08 US disclosed
US-20110301143-A1 HETEROCYCLIC DERIVATIVES AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE MERCK CANADA INC. (CA) 2011-12-08 US disclosed
WO-2010094126-A1 HETEROCYCLIC DERIVATIVES AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE MERCK FROSST CANADA LTD. (CA) 2010-08-26 WO disclosed
WO-2010094126-A1 HETEROCYCLIC DERIVATIVES AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE MERCK FROSST CANADA LTD. (CA) 2010-08-26 WO 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 (1 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-20110301143-A1 HETEROCYCLIC DERIVATIVES AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE SCD, SCD5, COASY EED 4342/4885RBBP4 2701/4885SUZ12 1786/4885

“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.