SCHEMBL463723

SCHEMBL463723

O=C(NCCNC(=O)N1CCC(NC(=O)C2CCCCC2)CC1)c1cn(-c2ccccc2)nc1C(F)(F)F

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 13/20 0.51
NPSR1 Q6W5P4 1/20 0.48
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.42
DRD2 P14416 1/20 0.42
DRD3 P35462 1/20 0.42
EPHX2 P34913 1/20 0.41

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
SCHEMBL441208 0.96 DGAT1 (0.54) DGAT1NPSR1
SCHEMBL441298 0.92 DGAT1 (0.50) DGAT1NPSR1
SCHEMBL4918435 0.90 DGAT1 (0.56) DGAT1KMT2AMEN1
SCHEMBL441132 0.89 DGAT1 (0.59) DGAT1KMT2AMEN1
SCHEMBL437636 0.89 DGAT1 (0.49) DGAT1EPHX2
SCHEMBL440825 0.87 DGAT1 (0.58) DGAT1
SCHEMBL442538 0.86 DGAT1 (0.59) DGAT1KMT2AMEN1DRD2
SCHEMBL441480 0.86 DGAT1 (0.55) DGAT1NPSR1
SCHEMBL463631 0.86 DGAT1 (0.58) DGAT1
SCHEMBL440581 0.85 DGAT1 (0.60) 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 1 patent. 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

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 2/4885NPSR1 2899/4885KMT2A 667/4885

“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.