SCHEMBL439399

SCHEMBL439399

COC(=O)c1nc(C2CCC(C(=O)NCCNC(=O)c3cn(-c4ccccc4)nc3C(F)(F)F)CC2)oc1-c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 18/20 0.48
HCRTR1 O43613 1/20 0.46
HCRTR2 O43614 1/20 0.46
CASP6 P55212 1/20 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
SCHEMBL439398 1.00 DGAT1 (0.48) DGAT1HCRTR1HCRTR2CASP6
SCHEMBL438213 0.93 DGAT1 (0.48) DGAT1HCRTR2CASP6
SCHEMBL438212 0.93 DGAT1 (0.48) DGAT1HCRTR2CASP6
SCHEMBL440894 0.88 DGAT1 (0.47) DGAT1
SCHEMBL440895 0.88 DGAT1 (0.47) DGAT1
SCHEMBL440670 0.88 DGAT1 (0.48) DGAT1
SCHEMBL440669 0.88 DGAT1 (0.48) DGAT1
SCHEMBL463001 0.84 DGAT1 (0.54) DGAT1
SCHEMBL441855 0.84 DGAT1 (0.54) DGAT1
SCHEMBL438698 0.83 DGAT1 (0.50) 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 2/4885HCRTR1 1535/4885HCRTR2 1110/4885

“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.