SCHEMBL879086

SCHEMBL879086

CC(C)Cc1ccc(C(=O)OC[C@H](O)CC(F)(F)F)cc1

nearest known ligand 0.50

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 18/20 0.50
ADRB1 P08588 18/20 0.50
ADRB3 P13945 18/20 0.50
LMNA P02545 1/20 0.41
POLB P06746 1/20 0.41

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
SCHEMBL12086467 0.87 LMNA (0.53) ADRB2ADRB1ADRB3LMNAPOLB
SCHEMBL22965730 0.83 ADRB2 (0.58) ADRB2ADRB1ADRB3
SCHEMBL14531744 0.77 LMNA (0.47) ADRB1LMNAPOLB
SCHEMBL9490020 0.76 CYP4F2 (0.46) ADRB2ADRB1ADRB3LMNA
SCHEMBL25812488 0.76 MAPT (0.53) ADRB2ADRB1ADRB3LMNA
SCHEMBL9490026 0.76 CYP4F2 (0.46) ADRB2ADRB1ADRB3LMNA
SCHEMBL19303806 0.75 ADRB2 (0.59) ADRB2ADRB1ADRB3
SCHEMBL571300 0.75 CA1 (0.59) LMNA
SCHEMBL18786024 0.73 LMNA (0.40) ADRB2ADRB1ADRB3LMNAPOLB
SCHEMBL28403117 0.72 PTGS1 (0.52) ADRB3LMNA

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 24 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-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-1951690-B1 HETEROCYCLIC CETP INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2012-03-28 EP disclosed
EP-2094643-B1 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 CO (US) 2012-02-29 EP disclosed
US-7790770-B2 Heterocyclic CETP inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2010-09-07 US disclosed
US-20100041717-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) 2010-02-18 US disclosed
US-7652023-B2 Heterocyclic CETP inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2010-01-26 US disclosed
US-7652023-B2 Heterocyclic CETP inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2010-01-26 US 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (6 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 ADRB2 2047/4885ADRB1 636/4885ADRB3 1206/4885
US-20100041717-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 ADRB2 77/4885ADRB1 15/4885ADRB3 49/4885
US-20070135631-A1 HETEROCYCLIC CETP INHIBITORS CETP, CES1, NPC1 ADRB2 2047/4885ADRB1 636/4885ADRB3 1206/4885
US-20070135467-A1 HETEROCYCLIC CETP INHIBITORS CETP, CES1, NPC1 ADRB2 2047/4885ADRB1 636/4885ADRB3 1206/4885
US-20120322761-A1 HETEROCYCLIC CETP INHIBITORS CETP, CES1, NPC1 ADRB2 2047/4885ADRB1 636/4885ADRB3 1206/4885
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 ADRB2 112/4885ADRB1 17/4885ADRB3 77/4885

“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.