SCHEMBL14455652

SCHEMBL14455652

CCC(C(=O)NC(Cc1ccccc1)(c1cccc(C(F)(F)F)c1)c1ccccn1)c1ccccc1

nearest known ligand 0.68

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CETP P11597 16/20 0.68
MEN1 O00255 1/20 0.53
ALDH1A1 P00352 1/20 0.53
CYP1A2 P05177 1/20 0.53
POLB P06746 1/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2C9 P11712 1/20 0.53
KMT2A Q03164 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
KCNQ2 O43526 1/20 0.42
KCNH2 Q12809 2/20 0.40
GAA P10253 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
SCHEMBL1181432 0.89 CETP (0.72) CETPKCNH2
SCHEMBL14455295 0.89 CETP (0.74) CETPKCNH2
SCHEMBL759327 0.89 POLB (0.63) CETPMEN1ALDH1A1CYP1A2POLB
SCHEMBL14455265 0.87 CETP (0.74) CETPKMT2AKCNH2
SCHEMBL14455284 0.84 CETP (0.81) CETPMEN1KMT2AKCNH2
SCHEMBL14534583 0.84 CETP (0.79) CETPKCNH2
SCHEMBL14455320 0.83 CETP (0.74) CETP
SCHEMBL1182827 0.82 CETP (0.80) CETP
SCHEMBL14455276 0.82 CETP (0.76) CETPKCNH2
SCHEMBL1182934 0.82 CETP (0.78) CETP

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 1/4885MEN1 3823/4885ALDH1A1 2353/4885

“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.