SCHEMBL4045654

SCHEMBL4045654

O=C(O)c1cnc(N2CC(OCc3ccccc3C(F)(F)F)C2)s1

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SCD O00767 10/20 0.55
TTR P02766 1/20 0.53
CARM1 Q86X55 1/20 0.42
PRMT6 Q96LA8 1/20 0.42
FAAH O00519 2/20 0.42
MGLL Q99685 1/20 0.42
SCN9A Q15858 1/20 0.41
RBP4 P02753 2/20 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
SCHEMBL4147123 0.90 SCD (0.66) SCDTTRCARM1PRMT6
SCHEMBL3950665 0.87 TTR (0.49) SCDTTRCARM1PRMT6SCN9A
SCHEMBL4562486 0.80 TTR (0.53) SCDTTRCARM1PRMT6FAAH
SCHEMBL2942812 0.78 SCD (0.83) SCDTTRRBP4
SCHEMBL4146028 0.78 TTR (0.51) TTRCARM1PRMT6FAAHMGLL
SCHEMBL472989 0.75 SCD (0.83) SCDTTRRBP4
SCHEMBL4147116 0.74 SCD (0.85) SCDTTR
SCHEMBL4154210 0.74 SCD (0.68) SCDTTRSCN9A
SCHEMBL3951673 0.73 TTR (0.50) SCDTTRCARM1PRMT6SCN9A
SCHEMBL3953243 0.72 TTR (0.49) SCDTTRCARM1PRMT6

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 SCD 1/4885TTR 1408/4885CARM1 4153/4885

“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.