SCHEMBL438324

SCHEMBL438324

Cn1cc(C(=O)C2CCN(C(=O)NCCNC(=O)c3cn(-c4ccccc4)nc3C(F)(F)F)CC2)cn1

nearest known ligand 0.55

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 17/20 0.55
CYP2C19 P33261 1/20 0.40
TNKS O95271 1/20 0.40
PARP1 P09874 1/20 0.40
TNKS2 Q9H2K2 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
SCHEMBL443254 0.91 DGAT1 (0.59) DGAT1CYP2C19
SCHEMBL438158 0.87 DGAT1 (0.53) DGAT1
SCHEMBL439191 0.86 DGAT1 (0.57) DGAT1
SCHEMBL439949 0.86 DGAT1 (0.51) DGAT1
SCHEMBL441480 0.85 DGAT1 (0.55) DGAT1
SCHEMBL443106 0.85 DGAT1 (0.57) DGAT1
SCHEMBL439478 0.84 DGAT1 (0.56) DGAT1
SCHEMBL440581 0.84 DGAT1 (0.60) DGAT1
SCHEMBL438636 0.83 DGAT1 (0.58) DGAT1
SCHEMBL441117 0.83 DGAT1 (0.59) 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 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 2/4885CYP2C19 3016/4885TNKS 4718/4885

“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.