SCHEMBL14455276

SCHEMBL14455276

COC(=O)NC(Cc1ccccc1)(c1cccc(C(F)(F)F)c1)c1ccccn1

nearest known ligand 0.76

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CETP P11597 17/20 0.76
KCNH2 Q12809 1/20 0.43
TLR7 Q9NYK1 1/20 0.42
VNN1 O95497 1/20 0.42

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
SCHEMBL14534583 0.89 CETP (0.79) CETPKCNH2TLR7VNN1
SCHEMBL14455285 0.89 CETP (0.77) CETPKCNH2VNN1
SCHEMBL14455284 0.87 CETP (0.81) CETPKCNH2TLR7VNN1
SCHEMBL14455265 0.86 CETP (0.74) CETPKCNH2
SCHEMBL1181808 0.86 CETP (1.00) CETP
SCHEMBL14455301 0.86 CETP (0.92) CETPKCNH2TLR7VNN1
SCHEMBL14455272 0.86 CETP (0.96) CETPTLR7VNN1
SCHEMBL14455282 0.86 CETP (0.79) CETPKCNH2
SCHEMBL1183218 0.86 CETP (1.00) CETPTLR7VNN1
SCHEMBL1182423 0.85 CETP (1.00) CETPKCNH2TLR7

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-20070161685-A1 HETEROCYCLIC CETP INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2007-07-12 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-20070161685-A1 HETEROCYCLIC CETP INHIBITORS CETP, CES1, NPC1 CETP 1/4885KCNH2 2789/4885TLR7 4204/4885

“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.