SCHEMBL438967

SCHEMBL438967

CC(C)(C)OC(=O)N1CCC(C(=O)NCCNC(=O)c2cn(-c3ccccc3)nc2C(F)(F)F)C1

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 15/20 0.53
MAPK8 P45983 1/20 0.47
LMNA P02545 2/20 0.44
TP53 P04637 1/20 0.44
MAPT P10636 1/20 0.44
KDM4E B2RXH2 1/20 0.44
PKM P14618 1/20 0.44

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
SCHEMBL438605 0.96 DGAT1 (0.56) DGAT1LMNATP53MAPTKDM4E
SCHEMBL440737 0.95 DGAT1 (0.52) DGAT1MAPK8LMNATP53MAPT
SCHEMBL440361 0.90 DGAT1 (0.52) DGAT1LMNA
SCHEMBL439896 0.87 DGAT1 (0.56) DGAT1
SCHEMBL440048 0.87 DGAT1 (0.60) DGAT1KDM4E
SCHEMBL462759 0.87 DGAT1 (0.57) DGAT1TP53
SCHEMBL438295 0.86 DGAT1 (0.55) DGAT1LMNA
SCHEMBL440131 0.86 DGAT1 (0.51) DGAT1TP53
SCHEMBL437493 0.86 DGAT1 (0.56) DGAT1
SCHEMBL438558 0.86 DGAT1 (0.54) DGAT1TP53

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 2/4885MAPK8 2745/4885LMNA 4016/4885

“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.