SCHEMBL3711341

SCHEMBL3711341

NC(=O)C1CC(N2CCN(c3cccc(OC(F)(F)F)c3)CC2)=NO1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DHFR P00374 1/20 0.49
NOTUM Q6P988 1/20 0.49
FFAR4 Q5NUL3 1/20 0.46
MLYCD O95822 1/20 0.44
CHRM4 P08173 10/20 0.44
FAAH O00519 1/20 0.42
CHRM2 P08172 1/20 0.42
CHRM1 P11229 1/20 0.42
PHGDH O43175 1/20 0.41
SCN9A Q15858 1/20 0.41
PDE4B Q07343 1/20 0.40
PDE4D Q08499 1/20 0.40
CCKAR P32238 1/20 0.40

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
SCHEMBL18825893 0.77 NOTUM (0.71) DHFRNOTUMFFAR4CHRM4FAAH
SCHEMBL29846671 0.76 MAPK10 (0.50) PDE4BPDE4D
SCHEMBL3707661 0.72 SCD (0.52) DHFRNOTUMFFAR4MLYCDCHRM4
SCHEMBL27999922 0.72 NOTUM (0.61) DHFRNOTUMFFAR4MLYCDCHRM4
SCHEMBL6498392 0.70 NOTUM (0.85) NOTUMFFAR4CHRM4CHRM2CHRM1
SCHEMBL17396663 0.69 NOTUM (0.57) DHFRNOTUMFFAR4MLYCDCHRM4
SCHEMBL31641819 0.69 NOTUM (0.51) DHFRNOTUMFFAR4MLYCDCHRM4
SCHEMBL31641717 0.69 NOTUM (0.51) DHFRNOTUMFFAR4MLYCDCHRM4
SCHEMBL2300499 0.69 DHFR (0.55) DHFRNOTUMFFAR4MLYCDCHRM4
SCHEMBL12968842 0.69 ADRA2C (0.56) DHFRNOTUMMLYCDPHGDH

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 DHFR 354/4885NOTUM 274/4885FFAR4 308/4885

“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.