SCHEMBL439873

SCHEMBL439873

CCN(NC(=O)c1cn(-c2ccccc2)nc1C(F)(F)F)C(=O)C1CCC(NC(=O)OC(C)(C)C)CC1

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 14/20 0.44
DRD2 P14416 2/20 0.38
KCNA3 P22001 1/20 0.38
DRD3 P35462 1/20 0.37
KDM1A O60341 1/20 0.37
MAOB P27338 1/20 0.37
CKS1B P61024 1/20 0.37
SKP1 P63208 1/20 0.37
SKP2 Q13309 1/20 0.37

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
SCHEMBL437411 0.86 DGAT1 (0.49) DGAT1
SCHEMBL438968 0.83 USP30 (0.44) DGAT1
SCHEMBL439109 0.83 DGAT1 (0.54) DGAT1
SCHEMBL443185 0.83 DGAT1 (0.54) DGAT1
SCHEMBL439110 0.83 DGAT1 (0.54) DGAT1
SCHEMBL440132 0.82 DGAT1 (0.42) DGAT1
SCHEMBL440613 0.78 DGAT1 (0.44) DGAT1
SCHEMBL4918439 0.78 DGAT1 (0.45) DGAT1
SCHEMBL441133 0.77 DGAT1 (0.53) DGAT1
SCHEMBL440674 0.76 DGAT1 (0.44) 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 2/4885DRD2 3020/4885KCNA3 2870/4885

“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.