SCHEMBL3534491

SCHEMBL3534491

CCN(CC)CCNCCCC1(C(F)(F)F)C=CC(c2ccccc2)C=C1

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.35
KDM4E B2RXH2 2/20 0.31
CHRM2 P08172 1/20 0.31
TSHR P16473 1/20 0.31
MEN1 O00255 1/20 0.30
LMNA P02545 1/20 0.30
KMT2A Q03164 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
CACNA2D1 P54289 1/20 0.30

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
SCHEMBL4951664 0.70 HTR2A (0.32)
SCHEMBL5962042 0.68 SIGMAR1 (0.31) SIGMAR1
SCHEMBL3539241 0.67 APEX1 (0.37) TSHR
SCHEMBL3834064 0.67 HTR2A (0.36)
SCHEMBL10410602 0.64 SIGMAR1 (0.66) SIGMAR1CHRM2
SCHEMBL10992652 0.63 SIGMAR1 (0.65) SIGMAR1CHRM2
SCHEMBL1577842 0.62 HTR2A (0.41) TSHRMEN1LMNAKMT2A
SCHEMBL17346391 0.61 SLC2A1 (0.53) SIGMAR1KDM4ECHRM2KMT2A
SCHEMBL10996038 0.61 KCNH2 (0.61) SIGMAR1CHRM2
SCHEMBL10814957 0.61 TSHR (0.50) CHRM2TSHRMEN1LMNAKMT2A

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8871775-B2 Compounds GLAXO GROUP LIMITED (GB) 2014-10-28 US disclosed
US-20120172378-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2012-07-05 US disclosed
US-20100144765-A1 5,6-TRIMETHYLENEPYRIMIDIN-4-ONE COMPOUNDS HICKEY DEIDRE MARY BERNADETTE 2010-06-10 US disclosed
US-7652019-B2 Treating atherosclerosis by administering 1-(N-(2-(diethylamino)ethyl)-N-(4-(4-trifluoromethylphenyl)benzyl)aminocarbonylmethyl)-2-(4-fluorobenzyl)thio-5,6-trimethylenepyrimidin-4-one or a salt; coadministering an antioxidant probucol; inhibitor of platlet activating factor acetylhydrolase SMITHKLINE BEECHAM PLC (GB) 2010-01-26 US disclosed
US-7638520-B2 platelet activating factor aceylhydrolase inhibitors such as 1-(N-(2-(diethylamino)ethyl)-N-(4-(4-trifluoromethylphenyl)benzyl)aminocarbonylmethyl)-2-(4-fluorobenzyl)thio-5-ethylpyrimidin-4-one; for treatment of atherosclerosis SMITHKLINE BEECHAM, PLC (GB) 2009-12-29 US disclosed
EP-1686119-B1 Pyrimidine-5-one derivatives as LDL-PLA2 inhibitors SMITHKLINE BEECHAM PLC (GB) 2009-07-29 EP disclosed
US-20090170877-A1 5,6-Trimethylenepyrimidin-4-one compounds SMITHKLINE BEECHAM P.L.C. 2009-07-02 US disclosed
US-20090118313-A1 Treating atherosclerosis by administering 1-(N-(2-(diethylamino)ethyl)-N-(4-(4-trifluoromethylphenyl)benzyl)aminocarbonylmethyl)-2-(4-fluorobenzyl)thio-5,6-trimethylenepyrimidin-4-one or a salt; coadministering an antioxidant probucol; inhibitor of platlet activating factor acetylhydrolase SMITHKLINE BEECHAM P.L.C. 2009-05-07 US disclosed
US-7470694-B2 Treating atherosclerosis by administering 1-(N-(2-(diethylamino)ethyl)-N-(4-(4-trifluoromethylphenyl)benzyl)aminocarbonylmethyl)-2-(4-fluorobenzyl)thio-5,6-trimethylenepyrimidin-4-one or a salt; coadministering an anticholesterol agent; inhibitor of platlet activating factor acetylhydrolase SMITHKLINE BEECHAM, PLC (GB) 2008-12-30 US disclosed
US-20070155762-A1 Treating atherosclerosis by administering 1-(N-(2-(diethylamino)ethyl)-N-(4-(4-trifluoromethylphenyl)benzyl)aminocarbonylmethyl)-2-(4-fluorobenzyl)thio-5,6-trimethylenepyrimidin-4-one or a salt; coadministering an anticholesterol agent; inhibitor of platlet activating factor acetylhydrolase SMITHKLINE BEECHAM PLC 2007-07-05 US disclosed
US-20070123549-A1 platelet activating factor aceylhydrolase inhibitors such as 1-(N-(2-(diethylamino)ethyl)-N-(4-(4-trifluoromethylphenyl)benzyl)aminocarbonylmethyl)-2-(4-fluorobenzyl)thio-5-ethylpyrimidin-4-one; for treatment of atherosclerosis SMITHKLINE BEECHAM PLC 2007-05-31 US disclosed
US-7153861-B2 For therapy of atheroscelerosis SMITHKLINE BEECHAM P.L.C. (GB) 2006-12-26 US disclosed
EP-1263740-B1 PYRIMIDINE-4-ONE DERIVATIVE AS LDL-PLA2 INHIBITOR SMITHKLINE BEECHAM PLC (GB) 2006-07-19 EP disclosed
US-6649619-B1 1-(N-(2-(diethylamino)ethyl)-N-(4-(4-trifluoromethylphenyl) benzyl)aminocarbonylmethyl)-2-(4-fluorobenzyl)thio-5,6-trimeth ylenepyrimidin-4-one or salt; lipoprotein-associated phospholipase A inhibitors SMITHKLINE BEECHAM P.L.C. (GB) 2003-11-18 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 (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-20090170877-A1 5,6-Trimethylenepyrimidin-4-one compounds PLA2G4A, PLA2G4B, PLA2G1B SIGMAR1 3603/4885KDM4E 2168/4885CHRM2 2930/4885
US-20090118313-A1 Treating atherosclerosis by administering 1-(N-(2-(diethylamino)ethyl)-N-(4-(4-trifluoromethylphenyl)benzyl)aminocarbonylmethyl)-2-(4-fluorobenzyl)thio-5,6-trimethylenepyrimidin-4-one or a salt; coadministering an antioxidant probucol; inhibitor of platlet activating factor acetylhydrolase PLAT, PLA2G7, LYPLAL1 SIGMAR1 3446/4885KDM4E 3878/4885CHRM2 4018/4885
US-20120172378-A1 NOVEL COMPOUNDS PLA2G7, ALOX15B, PLA2G1B SIGMAR1 4136/4885KDM4E 3440/4885CHRM2 3909/4885
US-20070155762-A1 Treating atherosclerosis by administering 1-(N-(2-(diethylamino)ethyl)-N-(4-(4-trifluoromethylphenyl)benzyl)aminocarbonylmethyl)-2-(4-fluorobenzyl)thio-5,6-trimethylenepyrimidin-4-one or a salt; coadministering an anticholesterol agent; inhibitor of platlet activating factor acetylhydrolase PLAT, PLA2G7, LYPLAL1 SIGMAR1 3576/4885KDM4E 3370/4885CHRM2 4078/4885
US-20070123549-A1 platelet activating factor aceylhydrolase inhibitors such as 1-(N-(2-(diethylamino)ethyl)-N-(4-(4-trifluoromethylphenyl)benzyl)aminocarbonylmethyl)-2-(4-fluorobenzyl)thio-5-ethylpyrimidin-4-one; for treatment of atherosclerosis PLA2G7, PLAT, PLA2G1B SIGMAR1 4014/4885KDM4E 2460/4885CHRM2 4427/4885
US-20100144765-A1 5,6-TRIMETHYLENEPYRIMIDIN-4-ONE COMPOUNDS PLA2G4A, PLA2G4B, PLA2G1B SIGMAR1 3603/4885KDM4E 2168/4885CHRM2 2930/4885

“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.