SCHEMBL13999929

SCHEMBL13999929

CCC(COCCC1CCN(S(=O)(=O)c2ccc(C)cc2F)CC1)n1cnc2c(N)nc3ccccc3c21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 3/20 0.38
ALOX5AP P20292 5/20 0.35
FEN1 P39748 5/20 0.35
TLR7 Q9NYK1 3/20 0.35
HTR2A P28223 6/20 0.34
LMNA P02545 1/20 0.34
POLB P06746 1/20 0.34
HRH2 P25021 1/20 0.34
ADRA1D P25100 1/20 0.34
ADORA2A P29274 1/20 0.34
ADRA1A P35348 1/20 0.34
NUDT1 P36639 1/20 0.34
HTR2B P41595 1/20 0.34
PDE4D Q08499 1/20 0.34
KCNH2 Q12809 1/20 0.34
ADRA2A P08913 2/20 0.34
MCHR1 Q99705 2/20 0.34
RORC P51449 1/20 0.33
EPHX2 P34913 1/20 0.33
HTR2C P28335 4/20 0.32

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
SCHEMBL13999880 0.94 HTR2A (0.39) NPY5RALOX5APFEN1TLR7HTR2A
SCHEMBL13999873 0.87 NPY5R (0.39) NPY5RTLR7HTR2ALMNAPOLB
SCHEMBL13999886 0.86 HTR2A (0.40) NPY5RTLR7HTR2ALMNAPOLB
SCHEMBL13999875 0.85 TLR7 (0.40) NPY5RTLR7HTR2ALMNAPOLB
SCHEMBL13999881 0.85 NPY5R (0.43) NPY5RHTR2APOLBHTR2CHTR1A
SCHEMBL13999889 0.84 NPY5R (0.37) NPY5RTLR7HTR2ALMNAPOLB
SCHEMBL13999884 0.84 ALDH1A1 (0.38) NPY5RTLR7HTR2ALMNAPOLB
SCHEMBL13999930 0.84 GBA1 (0.37) NPY5RTLR7HTR2ALMNAPOLB
SCHEMBL13999876 0.83 ALDH1A1 (0.40) NPY5RTLR7HTR2ALMNAPOLB
SCHEMBL13999878 0.83 PKM (0.42) LMNAPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080306252-A1 SULFONAMIDO ETHER SUBSTITUTED IMIDAZOQUINOLINES COLEY PHARMACEUTICAL GROUP, INC. (US) 2008-12-11 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-20080306252-A1 SULFONAMIDO ETHER SUBSTITUTED IMIDAZOQUINOLINES IFNG, IRF3, IL2 NPY5R 4383/4885ALOX5AP 2536/4885FEN1 3881/4885

“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.