SCHEMBL765955

SCHEMBL765955

CCOC(=O)CCCCCCOc1cc(C)ccc1F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.47
TTR P02766 3/20 0.43
ALB P02768 1/20 0.43
FFAR1 O14842 1/20 0.43
TDP1 Q9NUW8 1/20 0.42
PDK2 Q15119 1/20 0.42
HPGD P15428 1/20 0.42
CYP1A2 P05177 1/20 0.41
L3MBTL1 Q9Y468 3/20 0.41
MAPK1 P28482 1/20 0.41
CYP4F2 P78329 1/20 0.41
CYP4A11 Q02928 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
TNF P01375 1/20 0.40
MAPT P10636 2/20 0.40
BRD4 O60885 1/20 0.40
LMNA P02545 1/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 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
SCHEMBL10289883 0.88 MAPT (0.53) TSHRTTRALBHPGDCYP1A2
SCHEMBL13492012 0.88 MAPT (0.53) TSHRTTRALBHPGDCYP1A2
SCHEMBL10207104 0.86 MAPT (0.55) TSHRTTRALBTDP1HPGD
SCHEMBL13103865 0.86 TSHR (0.63) TSHRTTRALBFFAR1TDP1
SCHEMBL764893 0.86 TSHR (0.63) TSHRTTRALBFFAR1TDP1
SCHEMBL879186 0.85 BCHE (0.43) TTRALBFFAR1PDK2CYP1A2
SCHEMBL13103839 0.84 TSHR (0.65) TSHRTTRALBFFAR1TDP1
SCHEMBL7347287 0.84 TSHR (0.47) TSHRFFAR1PDK2CYP1A2L3MBTL1
SCHEMBL13985331 0.84 MAPT (0.57) TSHRTDP1HPGDCYP1A2L3MBTL1
SCHEMBL14298119 0.83 L3MBTL1 (0.60) TTRTDP1PDK2CYP1A2L3MBTL1

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 15 patents. 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-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-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-1954668-B9 HOMO- AND HETEROCYCLIC COMPOUNDS SUITABLE AS CETP INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2012-03-21 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-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-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-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
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 (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-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 TSHR 3118/4885TTR 1049/4885ALB 4262/4885
US-20070135631-A1 HETEROCYCLIC CETP INHIBITORS CETP, CES1, NPC1 TSHR 2250/4885TTR 3863/4885ALB 4753/4885
US-20070135467-A1 HETEROCYCLIC CETP INHIBITORS CETP, CES1, NPC1 TSHR 2250/4885TTR 3863/4885ALB 4753/4885
US-20120322761-A1 HETEROCYCLIC CETP INHIBITORS CETP, CES1, NPC1 TSHR 2250/4885TTR 3863/4885ALB 4753/4885
US-20100267669-A1 HETEROCYCLIC CETP INHIBITORS CETP, CES1, NPC1 TSHR 2250/4885TTR 3863/4885ALB 4753/4885
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 TSHR 2947/4885TTR 1017/4885ALB 4059/4885

“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.