SCHEMBL5023843

SCHEMBL5023843

Cn1nc(-c2ccc(C(F)(F)F)cc2)cc1CCO

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 2/20 0.40
RAD51 Q06609 1/20 0.40
CTSS P25774 1/20 0.39
CTSK P43235 1/20 0.39
CHRNB2 P17787 2/20 0.38
CHRNB4 P30926 2/20 0.38
CHRNA3 P32297 2/20 0.38
CHRNA4 P43681 2/20 0.38
PTGS2 P35354 1/20 0.38
CYP11B1 P15538 3/20 0.38
HSD11B1 P28845 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
PLA2G7 Q13093 1/20 0.37
MGLL Q99685 1/20 0.37
ABHD6 Q9BV23 1/20 0.37
PDE10A Q9Y233 1/20 0.37
CYP11B2 P19099 2/20 0.36
ADORA3 P0DMS8 1/20 0.36
TRPV3 Q8NET8 1/20 0.36
MAOB P27338 1/20 0.36

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
SCHEMBL5023343 0.92 TLR8 (0.43) TLR8RAD51CTSSCTSKCHRNB2
SCHEMBL4685144 0.88 TLR8 (0.42) TLR8RAD51CTSSCTSKCHRNB2
SCHEMBL5023360 0.82 TLR8 (0.42) TLR8RAD51CTSSCTSKPTGS2
SCHEMBL4678016 0.82 TLR8 (0.42) TLR8RAD51CTSSCTSKPTGS2
SCHEMBL4415569 0.82 RAD51 (0.42) TLR8RAD51CTSSCTSKPTGS2
SCHEMBL2424125 0.82 MAPT (0.44) PLA2G7MGLLABHD6ADORA3TRPV3
SCHEMBL28763212 0.81 LTB4R (0.47) TLR8PLA2G7MGLLABHD6KDM2B
SCHEMBL5023362 0.81 PSEN1 (0.47) PLA2G7MGLLABHD6ADORA3KDM2B
SCHEMBL5022721 0.79 LMNA (0.46) PTGS2PLA2G7MGLLABHD6
SCHEMBL5023323 0.79 CTSS (0.43) TLR8RAD51CTSSCTSKPTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100467463-C Pyrazolylindolyl derivatives as PPAR activators HOFFMANN LA ROCHE (CH) 2009-03-11 CN disclosed
EP-1725546-B1 PYRAZOLYL INDOLYL DERIVATIVES AS PPAR ACTIVATORS HOFFMANN LA ROCHE (CH) 2008-10-08 EP disclosed
US-7265149-B2 Indolyl derivatives HOFFMANN-LA ROCHE INC. (US) 2007-09-04 US disclosed
CN-1930150-A Pyrazolyl indolyl derivatives as PPAR activators HOFFMANN LA ROCHE (CH) 2007-03-14 CN disclosed
EP-1725546-A1 PYRAZOLYL INDOLYL DERIVATIVES AS PPAR ACTIVATORS F.HOFFMANN-LA ROCHE AG (CH) 2006-11-29 EP disclosed
WO-2005085235-A1 PYRAZOLYL INDOLYL DERIVATIVES AS PPAR ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2005-09-15 WO disclosed
US-20050203160-A1 Indolyl derivatives HOFFMANN-LA ROCHE INC. 2005-09-15 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 (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-20050203160-A1 Indolyl derivatives PPARD, PPARA, PPARG TLR8 828/4885RAD51 3741/4885CTSS 4238/4885

“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.