SCHEMBL463729

SCHEMBL463729

O=C(NCCNC(=O)C1CCC(C(=O)N2CCCC2)CC1)c1cn(-c2ccccc2)nc1C(F)(F)F

nearest known ligand 0.58

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 18/20 0.58
TP53 P04637 1/20 0.41
RXFP1 Q9HBX9 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
SCHEMBL441014 1.00 DGAT1 (0.58) DGAT1TP53RXFP1
SCHEMBL10279767 0.92 DGAT1 (0.55) DGAT1
SCHEMBL442839 0.92 DGAT1 (0.55) DGAT1
SCHEMBL463367 0.91 DGAT1 (0.54) DGAT1TP53RXFP1
SCHEMBL443106 0.90 DGAT1 (0.57) DGAT1
SCHEMBL463721 0.90 DGAT1 (0.53) DGAT1
SCHEMBL463722 0.89 DGAT1 (0.54) DGAT1
SCHEMBL441403 0.89 DGAT1 (0.61) DGAT1TP53RXFP1
SCHEMBL441402 0.89 DGAT1 (0.61) DGAT1TP53RXFP1
SCHEMBL439826 0.88 DGAT1 (0.60) DGAT1TP53RXFP1

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 2/4885TP53 2780/4885RXFP1 4170/4885

“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.