SCHEMBL765861

SCHEMBL765861

CCOC(=O)CCCCCc1ccc(CC(C)C)cc1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP4Z1 Q86W10 3/20 0.55
CYP4F2 P78329 2/20 0.53
CYP4A11 Q02928 2/20 0.53
CYP4F11 Q9HBI6 1/20 0.50
CYP4F12 Q9HCS2 1/20 0.50
ALOX5 P09917 1/20 0.48
MAPK1 P28482 2/20 0.45
GAA P10253 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
TBXAS1 P24557 1/20 0.43
MGLL Q99685 2/20 0.43
PTGS2 P35354 1/20 0.43
LPAR1 Q92633 3/20 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
SCHEMBL764890 0.94 CYP4Z1 (0.56) CYP4Z1CYP4F2CYP4A11CYP4F11CYP4F12
SCHEMBL9671800 0.89 CYP4Z1 (0.65) CYP4Z1CYP4F2CYP4A11CYP4F11CYP4F12
SCHEMBL765422 0.89 CYP4Z1 (0.53) CYP4Z1CYP4F2CYP4A11CYP4F11CYP4F12
SCHEMBL764926 0.88 CYP4F2 (0.68) CYP4Z1CYP4F2CYP4A11CYP4F11CYP4F12
SCHEMBL764925 0.85 CYP4Z1 (0.55) CYP4Z1CYP4F2CYP4A11CYP4F11CYP4F12
SCHEMBL10290188 0.85 LTA4H (0.54)
SCHEMBL10203534 0.85 LTA4H (0.54)
SCHEMBL10289901 0.84 CYP4Z1 (0.60) CYP4Z1CYP4F2CYP4A11CYP4F11CYP4F12
SCHEMBL10929511 0.84 CYP4Z1 (0.60) CYP4Z1CYP4F2CYP4A11CYP4F11CYP4F12
SCHEMBL6204525 0.84 CYP4Z1 (0.60) CYP4Z1CYP4F2CYP4A11CYP4F11CYP4F12

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 32 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9102599-B2 N-((3-benzyl)-2,2-(bis-phenyl)-propan-1-amine derivatives as CETP inhibitors for the treatment of atherosclerosis and cardiovascular diseases BRISTOL-MYERS SQUIBB COMPANY (US) 2015-08-11 US disclosed
US-8642576-B2 Heterocyclic CETP inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2014-02-04 US disclosed
US-20130184279-A1 N-((3-BENZYL)-2,2-(BIS-PHENYL)-PROPAN-1-AMINE DERIVATIVES AS CETP INHIBITORS FOR THE TREATMENT OF ATHEROSCLEROSIS AND CARDIOVASCULAR DISEASES BRISTOL-MYERS SQUIBB COMPANY (US) 2013-07-18 US disclosed
US-8404896-B2 N-((3-benzyl)-2,2-(bis-phenyl)-propan-1-amine derivatives as CETP inhibitors for the treatment of atherosclerosis and cardiovascular diseases BRISTOL-MYERS SQUIBB COMPANY (US) 2013-03-26 US disclosed
US-8404896-B2 N-((3-benzyl)-2,2-(bis-phenyl)-propan-1-amine derivatives as CETP inhibitors for the treatment of atherosclerosis and cardiovascular diseases BRISTOL-MYERS SQUIBB COMPANY (US) 2013-03-26 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
EP-1951673-B1 HETEROCYCLIC CETP INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2012-09-05 EP disclosed
US-7652023-B2 Heterocyclic CETP inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2010-01-26 US disclosed
WO-2008070496-A2 N- ( (3-BENZYL) -2, 2- (BIS-PHENYL) -PROPAN-1-AMINE DERIVATIVES AS CETP INHIBITORS FOR THE TREATMENT OF ATHEROSCLEROSIS AND CARDIOVASCULAR DISEASES BRISTOL-MYERS SQUIBB COMPANY (US) 2008-06-12 WO disclosed
US-20070161685-A1 HETEROCYCLIC CETP INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2007-07-12 US disclosed
US-20070161685-A1 HETEROCYCLIC CETP INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2007-07-12 US disclosed
US-20070135631-A1 HETEROCYCLIC CETP INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2007-06-14 US disclosed
US-20070135467-A1 HETEROCYCLIC CETP INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2007-06-14 US disclosed
US-20070135467-A1 HETEROCYCLIC CETP INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2007-06-14 US disclosed
WO-2007062314-A2 HETEROCYCLIC CETP INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-05-31 WO disclosed
WO-2007062308-A2 HOMO- AND HETEROCYCLIC COMPOUNDS SUITABLE AS CETP INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-05-31 WO disclosed
WO-2007062342-A1 HETEROCYCLIC CETP INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-05-31 WO 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 (5 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 CYP4Z1 1859/4885CYP4F2 1512/4885CYP4A11 357/4885
US-20070135631-A1 HETEROCYCLIC CETP INHIBITORS CETP, CES1, NPC1 CYP4Z1 1859/4885CYP4F2 1512/4885CYP4A11 357/4885
US-20070135467-A1 HETEROCYCLIC CETP INHIBITORS CETP, CES1, NPC1 CYP4Z1 1859/4885CYP4F2 1512/4885CYP4A11 357/4885
US-20120322761-A1 HETEROCYCLIC CETP INHIBITORS CETP, CES1, NPC1 CYP4Z1 1859/4885CYP4F2 1512/4885CYP4A11 357/4885
US-20130184279-A1 N-((3-BENZYL)-2,2-(BIS-PHENYL)-PROPAN-1-AMINE DERIVATIVES AS CETP INHIBITORS FOR THE TREATMENT OF ATHEROSCLEROSIS AND CARDIOVASCULAR DISEASES CETP, APOB, CES1 CYP4Z1 2229/4885CYP4F2 2388/4885CYP4A11 463/4885

“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.