SCHEMBL441603

SCHEMBL441603

CCCC(=O)N1CCCC(C(=O)NCCNC(=O)c2cn(-c3ccccc3)nc2C(F)(F)F)C1

nearest known ligand 0.53

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 17/20 0.53
ITGB3 P05106 1/20 0.42
ITGA2B P08514 1/20 0.42
F2R P25116 1/20 0.42

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
SCHEMBL441124 0.90 DGAT1 (0.51) DGAT1
SCHEMBL438564 0.90 DGAT1 (0.56) DGAT1
SCHEMBL441196 0.90 DGAT1 (0.54) DGAT1
SCHEMBL439896 0.88 DGAT1 (0.56) DGAT1
SCHEMBL440022 0.87 DGAT1 (0.54) DGAT1
SCHEMBL440737 0.86 DGAT1 (0.52) DGAT1
SCHEMBL438295 0.82 DGAT1 (0.55) DGAT1
SCHEMBL441014 0.82 DGAT1 (0.58) DGAT1
SCHEMBL463729 0.82 DGAT1 (0.58) DGAT1
SCHEMBL440878 0.82 DGAT1 (0.56) DGAT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120065196-A1 AMIDE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-15 US disclosed
US-20120065196-A1 AMIDE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-15 US 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-20120065196-A1 AMIDE COMPOUNDS DGAT2, DGAT1, DLAT DGAT1 2/4885ITGB3 4548/4885ITGA2B 3602/4885

“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.