SCHEMBL759631

SCHEMBL759631

Cn1ncnc1CC(NC(=O)C1CC1)(c1cccc(OC(F)(F)F)c1)c1cccc(OC(F)(F)F)c1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDR P35968 9/20 0.42
CETP P11597 3/20 0.41
BRAF P15056 5/20 0.39
JAK1 P23458 1/20 0.39
EPHX2 P34913 1/20 0.38
GSK3B P49841 2/20 0.37
GPR142 Q7Z601 1/20 0.37
KCNQ3 O43525 2/20 0.37
KCNQ2 O43526 2/20 0.37
NOTUM Q6P988 1/20 0.37
MAPK14 Q16539 1/20 0.36

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
SCHEMBL759867 0.86 CETP (0.58) CETPEPHX2
SCHEMBL14297696 0.82 CETP (0.54) CETPEPHX2
SCHEMBL14533754 0.81 NOTUM (0.36) KDRCETPJAK1GPR142NOTUM
SCHEMBL759518 0.77 CETP (0.52) CETP
SCHEMBL759517 0.77 CETP (0.52) CETP
SCHEMBL760934 0.76 CETP (0.34) CETPMAPK14
SCHEMBL760935 0.76 CETP (0.34) CETPMAPK14
SCHEMBL760713 0.76 KIF11 (0.39) CETP
SCHEMBL761225 0.75 CETP (0.57) CETPMAPK14
SCHEMBL760686 0.75 CETP (0.58) 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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8642576-B2 Heterocyclic CETP inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2014-02-04 US disclosed
US-8642576-B2 Heterocyclic CETP inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2014-02-04 US disclosed
US-20120322761-A1 HETEROCYCLIC CETP INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2012-12-20 US disclosed
US-20120322761-A1 HETEROCYCLIC CETP INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2012-12-20 US disclosed
US-20120322761-A1 HETEROCYCLIC CETP INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2012-12-20 US disclosed
US-8304403-B2 Heterocyclic CETP inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2012-11-06 US disclosed
US-8304403-B2 Heterocyclic CETP inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2012-11-06 US disclosed
US-8304403-B2 Heterocyclic CETP inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2012-11-06 US disclosed
EP-1954668-B9 HOMO- AND HETEROCYCLIC COMPOUNDS SUITABLE AS CETP INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2012-03-21 EP disclosed
EP-1954668-B1 HOMO- AND HETEROCYCLIC COMPOUNDS SUITABLE AS CETP INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2011-09-28 EP disclosed
US-20100267669-A1 HETEROCYCLIC CETP INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2010-10-21 US disclosed
US-20100267669-A1 HETEROCYCLIC CETP INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2010-10-21 US disclosed
US-20100267669-A1 HETEROCYCLIC CETP INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2010-10-21 US disclosed
US-7790770-B2 Heterocyclic CETP inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2010-09-07 US disclosed
US-7790770-B2 Heterocyclic CETP inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2010-09-07 US disclosed
US-7790770-B2 Heterocyclic CETP inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2010-09-07 US disclosed
US-20070135631-A1 HETEROCYCLIC CETP INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2007-06-14 US disclosed
US-20070135631-A1 HETEROCYCLIC CETP INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2007-06-14 US disclosed
US-20070135631-A1 HETEROCYCLIC CETP INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2007-06-14 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 (3 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-20070135631-A1 HETEROCYCLIC CETP INHIBITORS CETP, CES1, NPC1 KDR 3651/4885CETP 1/4885BRAF 3999/4885
US-20120322761-A1 HETEROCYCLIC CETP INHIBITORS CETP, CES1, NPC1 KDR 3651/4885CETP 1/4885BRAF 3999/4885
US-20100267669-A1 HETEROCYCLIC CETP INHIBITORS CETP, CES1, NPC1 KDR 3651/4885CETP 1/4885BRAF 3999/4885

“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.