SCHEMBL4159968

SCHEMBL4159968

COC(=O)c1ccc(N2CC(Oc3ccccc3C(F)(F)F)C2)nn1

nearest known ligand 0.63

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TTR P02766 3/20 0.53
SCD O00767 5/20 0.50
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
RBP4 P02753 2/20 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
SCHEMBL4255167 0.92 SCD (0.56) TTRSCDCYP3A4CYP2D6RBP4
SCHEMBL3084640 0.90 SCD (0.63) SCDCYP3A4CYP2D6
SCHEMBL14870439 0.89 TTR (0.55) TTRSCDCYP3A4CYP2D6RBP4
SCHEMBL4170432 0.88 TTR (0.61) TTRSCDCYP3A4CYP2D6RBP4
SCHEMBL4153551 0.87 SCD (0.54) TTRSCD
SCHEMBL13777957 0.86 TTR (0.50) TTRSCDCYP3A4CYP2D6
SCHEMBL4163345 0.86 TTR (0.50) TTRSCDRBP4
SCHEMBL31162623 0.85 SCD (0.57) TTRSCDCYP3A4CYP2D6RBP4
SCHEMBL31162610 0.84 SCD (0.56) SCDCYP3A4CYP2D6
SCHEMBL3947882 0.84 SCD (0.45) SCD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090170828-A1 Azetidine Derivatives as Inhibitors of Stearoyl-Coenzyme a Delta-9 Desaturase MERCK FROSST CANADA LTD. (CA) 2009-07-02 US disclosed
US-20090170828-A1 Azetidine Derivatives as Inhibitors of Stearoyl-Coenzyme a Delta-9 Desaturase MERCK FROSST CANADA LTD. (CA) 2009-07-02 US disclosed
US-20090170828-A1 Azetidine Derivatives as Inhibitors of Stearoyl-Coenzyme a Delta-9 Desaturase MERCK FROSST CANADA LTD. (CA) 2009-07-02 US disclosed
WO-2007143823-A1 AZETIDINE DERIVATIVES AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE MERCK FROSST CANADA LTD. (CA) 2007-12-21 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-20090170828-A1 Azetidine Derivatives as Inhibitors of Stearoyl-Coenzyme a Delta-9 Desaturase SCD, SCD5, FASN TTR 1408/4885SCD 1/4885CYP3A4 1060/4885

“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.