SCHEMBL4499063

SCHEMBL4499063

O=C(O)N1CCC(Cc2ccccc2C(F)(F)F)CC1

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 2/20 0.60
CYP2C19 P33261 2/20 0.60
MAPK14 Q16539 2/20 0.60
HTR2B P41595 1/20 0.60
RBP4 P02753 2/20 0.49
KDM4E B2RXH2 5/20 0.47
ALDH1A1 P00352 4/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
LMNA P02545 1/20 0.47
SIGMAR1 Q99720 1/20 0.46
GAA P10253 1/20 0.46
ATM Q13315 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
POLB P06746 1/20 0.46

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
SCHEMBL4166538 0.86 KDM4E (0.46) CYP2C9CYP2C19MAPK14HTR2BRBP4
SCHEMBL23148947 0.83 CYP2C9 (0.47) CYP2C9CYP2C19MAPK14HTR2BRBP4
SCHEMBL1815968 0.82 KDM4E (0.54) CYP2C9CYP2C19MAPK14HTR2BKDM4E
SCHEMBL19970343 0.81 SIGMAR1 (0.56) CYP2C9CYP2C19MAPK14HTR2BRBP4
SCHEMBL26746220 0.80 CYP2C9 (0.51) CYP2C9CYP2C19MAPK14HTR2BRBP4
SCHEMBL19970346 0.80 CYP2C9 (0.47) CYP2C9CYP2C19MAPK14HTR2BRBP4
SCHEMBL19970340 0.80 CYP2C9 (0.47) CYP2C9CYP2C19MAPK14HTR2BRBP4
SCHEMBL19970344 0.80 CYP2C9 (0.47) CYP2C9CYP2C19MAPK14HTR2BRBP4
SCHEMBL6177917 0.78 CYP2C9 (0.57) CYP2C9CYP2C19MAPK14HTR2BALDH1A1
SCHEMBL450556 0.78 MEN1 (0.46) CYP2C9CYP2C19MAPK14HTR2BMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090291955-A1 Azacyclohexane Derivatives as Inhibitors of Stearoyl-Coenzyme a Delta-9 Desaturase MERCK FROSST CANADA LTD. (CA) 2009-11-26 US disclosed
EP-1951731-A1 AZACYCLOHEXANE DERIVATIVES AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE Merck Frosst Canada Ltd. (CA) 2008-08-06 EP disclosed
EP-1799668-A1 HETEROCYCLIC DERIVATIVES AND THEIR USE AS MEDIATORS OF STEAROYL-COA DESATURASE XENON PHARMACEUTICALS INC. (CA) 2007-06-27 EP disclosed
WO-2007056846-A1 AZACYCLOHEXANE DERIVATIVES AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE MERCK FROSST CANADA LTD. (CA) 2007-05-24 WO disclosed
WO-2006034338-A1 HETEROCYCLIC DERIVATIVES AND THEIR USE AS MEDIATORS OF STEAROYL-COA DESATURASE XENON PHARMACEUTICALS INC. (CA) 2006-03-30 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-20090291955-A1 Azacyclohexane Derivatives as Inhibitors of Stearoyl-Coenzyme a Delta-9 Desaturase SCD, SCD5, SREBF1 CYP2C9 595/4885CYP2C19 1327/4885MAPK14 2616/4885

“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.