SCHEMBL1867887

SCHEMBL1867887

CC(C)(C)OC(=O)N1CCC(Cc2ccc(N)c(F)c2)CC1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 8/20 0.49
DPP4 P27487 1/20 0.49
TLR7 Q9NYK1 1/20 0.48
KDM4E B2RXH2 2/20 0.47
PKM P14618 1/20 0.47
MAPT P10636 1/20 0.45
THRB P10828 1/20 0.45
TP53 P04637 1/20 0.44
SCN9A Q15858 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC2 Q92769 1/20 0.44

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
SCHEMBL30560069 0.91 GPR119 (0.49) GPR119DPP4TLR7KDM4EPKM
SCHEMBL24652483 0.91 GPR119 (0.49) GPR119DPP4TLR7KDM4EPKM
SCHEMBL18280030 0.90 DPP4 (0.52) GPR119DPP4TLR7KDM4EPKM
SCHEMBL28947907 0.87 KDM4E (0.47) GPR119KDM4EPKMMAPTTHRB
SCHEMBL1866870 0.86 CCR3 (0.47) GPR119KDM4EPKMMAPTTP53
SCHEMBL30679858 0.86 GPR119 (0.49) GPR119DPP4TLR7KDM4EPKM
SCHEMBL11949137 0.86 GPR119 (0.49) GPR119DPP4TLR7KDM4EPKM
SCHEMBL15536555 0.86 CCR3 (0.53) GPR119DPP4TLR7KDM4EPKM
SCHEMBL5213121 0.85 TLR7 (0.51) GPR119DPP4TLR7KDM4EPKM
SCHEMBL18280182 0.84 DPP4 (0.51) GPR119DPP4TLR7KDM4EPKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9108939-B2 (1, 1, 1,3,3,3-hexafluoro-2 hydroxypropan-2-yl) phenyl derivative, pharmaceutical compositions thereof and their use for the treatment of atherosclerosis MERCK SHARP & DOHME B.V. (NL) 2015-08-18 US disclosed
EP-2493855-B1 (1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl derivatives, pharmaceutical compositions thereof and their use for the treatment of atherosclerosis MERCK SHARP & DOHME (NL) 2014-02-26 EP disclosed
US-20120238574-A1 (1, 1, 1,3,3,3 -HEXAFLUORO-2 HYDROXYPROPAN- 2 -YL) PHENYL DERIVATIVE, PHARMACEUTICAL COMPOSITIONS THEREOF AND THEIR USE FOR THE TREATMENT OF ATHEROSCLEROSIS N.V. ORGANON (NL) 2012-09-20 US disclosed
EP-2493855-A1 (1,1, 1,3, 3, 3-HEXAFLUORO-2-HYDROXYPROPAN-2-YL) PHENYL DERIVATIVES, PHARMACEUTICAL COMPOSITIONS THEREOF AND THEIR USE FOR THE TREATMENT OF ATHEROSCLEROSIS MSD Oss B.V. (NL) 2012-09-05 EP disclosed
WO-2011051282-A1 (1,1, 1,3, 3, 3-HEXAFLUORO-2-HYDROXYPROPAN-2-YL) PHENYL DERIVATIVES, PHARMACEUTICAL COMPOSITIONS THEREOF AND THEIR USE FOR THE TREATMENT OF ATHEROSCLEROSIS N.V. ORGANON (NL) 2011-05-05 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 (1 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-20120238574-A1 (1, 1, 1,3,3,3 -HEXAFLUORO-2 HYDROXYPROPAN- 2 -YL) PHENYL DERIVATIVE, PHARMACEUTICAL COMPOSITIONS THEREOF AND THEIR USE FOR THE TREATMENT OF ATHEROSCLEROSIS TGFB1, FPR1, TGFB2 GPR119 25/4885DPP4 177/4885TLR7 2253/4885

“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.