SCHEMBL759759

SCHEMBL759759

O=C(NC1CCCC1)NC(Cc1ccc(C(=O)O)cc1)(c1cccc(OC(F)(F)F)c1)c1cccc(OC(F)(F)F)c1

nearest known ligand 0.67

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CETP P11597 15/20 0.67
EPHX2 P34913 5/20 0.47
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
FAAH O00519 1/20 0.46
EPHX1 P07099 1/20 0.43

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
SCHEMBL762032 0.92 CETP (0.63) CETPEPHX2CYP1A2CYP3A4CYP2D6
SCHEMBL761828 0.91 CETP (0.69) CETPCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL757953 0.90 CETP (0.66) CETPEPHX2CYP1A2CYP3A4CYP2D6
SCHEMBL761769 0.90 CETP (0.73) CETPCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL758796 0.89 CETP (0.64) CETPEPHX2CYP1A2CYP3A4CYP2D6
SCHEMBL760909 0.88 CETP (0.66) CETPEPHX2CYP1A2CYP3A4CYP2D6
SCHEMBL13143098 0.86 CETP (0.62) CETPEPHX2CYP1A2CYP3A4CYP2D6
SCHEMBL761099 0.86 CETP (0.65) CETPEPHX2CYP1A2CYP3A4CYP2D6
SCHEMBL759458 0.85 CETP (0.64) CETPCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL757934 0.85 CETP (0.67) CETPCYP1A2CYP3A4CYP2D6CYP2C9

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 claimed
US-20140155444-A1 TETRAHYDRONAPHTHALENE DERIVATIVES CONCERT PHARMACEUTICALS INC. (US) 2014-06-05 US disclosed
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-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 (4 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-20140155444-A1 TETRAHYDRONAPHTHALENE DERIVATIVES CACNA1H, CACNA1I, CACNA1G CETP 1076/4885EPHX2 2046/4885CYP1A2 703/4885
US-20070135631-A1 HETEROCYCLIC CETP INHIBITORS CETP, CES1, NPC1 CETP 1/4885EPHX2 1575/4885CYP1A2 603/4885
US-20120322761-A1 HETEROCYCLIC CETP INHIBITORS CETP, CES1, NPC1 CETP 1/4885EPHX2 1575/4885CYP1A2 603/4885
US-20100267669-A1 HETEROCYCLIC CETP INHIBITORS CETP, CES1, NPC1 CETP 1/4885EPHX2 1575/4885CYP1A2 603/4885

“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.