SCHEMBL4046814

SCHEMBL4046814

CC(=O)OCc1nnc(-c2ccc(N3CC(Cc4ccccc4C(F)(F)F)C3)nn2)o1

nearest known ligand 0.49

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.45
SCD O00767 6/20 0.38
CNR2 P34972 1/20 0.37
GLS O94925 1/20 0.35
CHRNA7 P36544 1/20 0.35

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
SCHEMBL4147084 0.86 SCD (0.50) NOTUMSCDCNR2GLSCHRNA7
SCHEMBL4149044 0.85 SCD (0.48) NOTUMSCD
SCHEMBL4154497 0.82 SCD (0.42) NOTUMSCDCNR2
SCHEMBL13855643 0.80 SCD (0.59) SCD
SCHEMBL13856179 0.77 SCD (0.53) SCDCNR2
SCHEMBL4150270 0.76 SCD (0.44) SCDGLS
SCHEMBL4046906 0.75 SCD (0.43) NOTUMSCD
SCHEMBL3952864 0.73 SCD (0.44) SCDGLS
SCHEMBL4155565 0.73 SCD (0.48) SCD
SCHEMBL4154368 0.70 SCD (0.49) 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2032566-A4 AZETIDINE DERIVATIVES AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE MERCK FROSST CANADA LTD (CA) 2009-07-08 EP 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
US-20090170828-A1 Azetidine Derivatives as Inhibitors of Stearoyl-Coenzyme a Delta-9 Desaturase MERCK FROSST CANADA LTD. (CA) 2009-07-02 US disclosed
EP-2032566-A1 AZETIDINE DERIVATIVES AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE Merck Frosst Canada Ltd. (CA) 2009-03-11 EP 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
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 NOTUM 228/4885SCD 1/4885CNR2 1574/4885

“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.