SCHEMBL4289337

SCHEMBL4289337

CNCCN(C)C(=O)c1cn(-c2ccccc2)nc1C(F)(F)F

nearest known ligand 0.50

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 15/20 0.50
CACNA2D1 P54289 1/20 0.41
KDM5B Q9UGL1 1/20 0.41
HSP90AA1 P07900 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
SCHEMBL13611559 0.81 DGAT1 (0.69) DGAT1
SCHEMBL4289413 0.80 DGAT1 (0.79) DGAT1
Hydrochloric Acid SCHEMBL441282 0.80 DGAT1 (0.68) DGAT1
SCHEMBL13611528 0.79 DGAT1 (0.66) DGAT1
Trifluoroacetic Acid SCHEMBL4291528 0.78 DGAT1 (0.66) DGAT1
SCHEMBL4295566 0.76 DGAT1 (0.79) DGAT1
SCHEMBL408273 0.75 DGAT1 (0.54) DGAT1
SCHEMBL10576877 0.74 MAPT (0.63) DGAT1
SCHEMBL14305136 0.74 DGAT1 (0.67) DGAT1KDM5B
SCHEMBL4910831 0.73 DGAT1 (0.71) 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-20090286791-A1 Amide Compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-11-19 US disclosed
US-20090286791-A1 Amide Compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-11-19 US disclosed
US-20090286791-A1 Amide Compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-11-19 US disclosed
WO-2008011131-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-20090286791-A1 Amide Compounds DLAT, DGAT2, DGAT1 DGAT1 3/4885CACNA2D1 2848/4885KDM5B 2450/4885

“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.