SCHEMBL3577352

SCHEMBL3577352

CCN(CC1CCC(CC(=O)O)CC1)c1ccc(C(F)(F)F)cc1C=O

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 5/20 0.43
SOAT1 P35610 2/20 0.43
FFAR4 Q5NUL3 9/20 0.41
KCNH2 Q12809 3/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.37
ADORA2A P29274 1/20 0.37
LIPC P11150 1/20 0.37
LIPG Q9Y5X9 1/20 0.37
PPARD Q03181 2/20 0.36
PPARA Q07869 2/20 0.36
CYP3A4 P08684 2/20 0.35
CYP2C9 P11712 1/20 0.35
TACR1 P25103 1/20 0.35

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
SCHEMBL3577349 1.00 DGAT1 (0.43) DGAT1SOAT1FFAR4KCNH2PTGDR2
SCHEMBL3033676 0.88 CCRL2 (0.41) DGAT1SOAT1FFAR4PTGDR2
SCHEMBL3033678 0.88 CCRL2 (0.41) DGAT1SOAT1FFAR4PTGDR2
SCHEMBL3046479 0.88 CSNK1D (0.36)
SCHEMBL3576693 0.85 FFAR4 (0.48) DGAT1SOAT1FFAR4KCNH2PTGDR2
SCHEMBL3576690 0.85 FFAR4 (0.48) DGAT1SOAT1FFAR4KCNH2PTGDR2
SCHEMBL1587823 0.83 CNR2 (0.43) CYP3A4
SCHEMBL3044441 0.78 CSNK1D (0.39)
SCHEMBL14999612 0.76 CETP (0.37) DGAT1SOAT1FFAR4KCNH2PTGDR2
SCHEMBL3036495 0.74 GRIA2 (0.38)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1973889-B1 CETP INHIBITORS MERCK SHARP & DOHME (US) 2016-08-24 EP disclosed
US-7781426-B2 cholesterol ester transfer protein (CETP) inhibitors such as (4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-3-[2-(3,3-dimethylpiperidin-1-yl)-5-(trifluoromethyl)benzyl]-4-methyl-1,3-oxazolidin-2-one, useful for raising HDL-cholesterol, reducing LDL-cholesterol, and for treating or preventing atherosclerosis MERCK SHARP & DOHME CORP. (US) 2010-08-24 US disclosed
US-20090082352-A1 N-{1-[3,5-bis(trifluoromethyl)phenyl]ethyl}-N-({2-[(cyclopentylmethyl)(ethyl)amino]-5-(trifluoromethyl)phenyl}methyl)-5-[2-(methylthio)ethoxy]pyrimidin-2-amine; inhibitory activity on cholesterol ester transfer protein (CETP) KOWA COMPANY, LTD. (JP) 2009-03-26 US disclosed
US-20090075979-A1 CETP Inhibitors MERCK SHARP & DOHME LLC 2009-03-19 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 (2 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-20090075979-A1 CETP Inhibitors CETP, APOB, MTTP DGAT1 171/4885SOAT1 23/4885FFAR4 785/4885
US-20090082352-A1 N-{1-[3,5-bis(trifluoromethyl)phenyl]ethyl}-N-({2-[(cyclopentylmethyl)(ethyl)amino]-5-(trifluoromethyl)phenyl}methyl)-5-[2-(methylthio)ethoxy]pyrimidin-2-amine; inhibitory activity on cholesterol ester transfer protein (CETP) CETP, NPC1L1, MTTP DGAT1 178/4885SOAT1 32/4885FFAR4 991/4885

“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.