SCHEMBL407187

SCHEMBL407187

CCOC(=O)C1CCN(C(=O)CCCNC(=O)c2cn(-c3ccccc3)nc2C(F)(F)F)CC1

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 15/20 0.55
ALDH1A1 P00352 2/20 0.51
NPC1 O15118 1/20 0.51
TSHR P16473 1/20 0.51
RAB9A P51151 1/20 0.51
USP2 O75604 1/20 0.49
ATM Q13315 1/20 0.49
ALOX5 P09917 1/20 0.46
KMT2A Q03164 1/20 0.46

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
SCHEMBL441117 0.89 DGAT1 (0.59) DGAT1TSHRUSP2ATM
SCHEMBL408550 0.84 DGAT1 (0.53) DGAT1
SCHEMBL440048 0.83 DGAT1 (0.60) DGAT1USP2
SCHEMBL438564 0.83 DGAT1 (0.56) DGAT1
SCHEMBL440878 0.82 DGAT1 (0.56) DGAT1ALDH1A1TSHRKMT2A
SCHEMBL439896 0.78 DGAT1 (0.56) DGAT1
SCHEMBL438558 0.78 DGAT1 (0.54) DGAT1
SCHEMBL462759 0.78 DGAT1 (0.57) DGAT1
SCHEMBL27986789 0.78 DGAT1 (0.64) DGAT1
SCHEMBL440435 0.77 DGAT1 (0.61) 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 4 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
US-20120065196-A1 AMIDE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-15 US disclosed
WO-2008011130-A2 AMIDE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-01-24 WO 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 2/4885ALDH1A1 272/4885NPC1 142/4885

“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.