SCHEMBL440674

SCHEMBL440674

CCN(NC(=O)c1cn(-c2ccccc2)nc1C(F)(F)F)C(=O)N1C(C)CN(C(=O)OC(C)(C)C)CC1C

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 16/20 0.44
GRM5 P41594 1/20 0.36
GRM1 Q13255 1/20 0.36
NTRK1 P04629 1/20 0.35
USP30 Q70CQ3 1/20 0.35
TACR1 P25103 1/20 0.35

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
SCHEMBL440613 0.84 DGAT1 (0.44) DGAT1NTRK1
SCHEMBL438192 0.84 DGAT1 (0.42) DGAT1GRM5GRM1TACR1
SCHEMBL440362 0.84 DGAT1 (0.43) DGAT1USP30TACR1
SCHEMBL438968 0.83 USP30 (0.44) DGAT1GRM5GRM1USP30
SCHEMBL438606 0.83 DGAT1 (0.45) DGAT1
SCHEMBL440673 0.83 DGAT1 (0.54) DGAT1TACR1
SCHEMBL437429 0.82 DGAT1 (0.44) DGAT1GRM5GRM1TACR1
SCHEMBL441022 0.82 DGAT1 (0.42) DGAT1GRM5GRM1NTRK1
SCHEMBL440132 0.80 DGAT1 (0.42) DGAT1
SCHEMBL4910838 0.78 DGAT1 (0.56) 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 2/4885GRM5 659/4885GRM1 876/4885

“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.