SCHEMBL356303

SCHEMBL356303

CC(C)(C)OC(=O)N1CCN(c2ccc(-c3noc(=O)[nH]3)cc2F)CC1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RBP4 P02753 1/20 0.52
TBK1 Q9UHD2 1/20 0.43
HDAC4 P56524 1/20 0.43
SCD5 Q86SK9 1/20 0.42
GPR119 Q8TDV5 4/20 0.41
KIT P10721 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MAPT P10636 2/20 0.41
PLA2G2A P14555 1/20 0.41
BACE1 P56817 1/20 0.40
TP53 P04637 1/20 0.40
THRB P10828 1/20 0.40
PIK3CA P42336 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
PRMT5 O14744 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL355649 0.89 TBK1 (0.43) RBP4TBK1HDAC4SCD5GPR119
SCHEMBL29717241 0.86 RBP4 (0.52) RBP4HDAC4SCD5KITMAPT
SCHEMBL29717161 0.83 RBP4 (0.49) RBP4HDAC4SCD5KITMAPT
SCHEMBL356667 0.80 L3MBTL1 (0.43) HDAC4SCD5GPR119L3MBTL1MAPT
SCHEMBL354865 0.79 GPR119 (0.55) TBK1HDAC4SCD5GPR119L3MBTL1
SCHEMBL8221031 0.79 GPR119 (0.56) HDAC4GPR119L3MBTL1MAPTTHRB
SCHEMBL355505 0.77 HDAC4 (0.51) HDAC4SCD5GPR119L3MBTL1MAPT
SCHEMBL354648 0.77 NPY2R (0.58) HDAC4GPR119L3MBTL1MAPTPIK3CA
SCHEMBL29717223 0.76 HDAC2 (0.45) RBP4HDAC4L3MBTL1MAPTPIK3CA
SCHEMBL22532774 0.75 SMN1; SMN2 (0.56) GPR119L3MBTL1MAPTTP53THRB

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-20120015957-A1 PIPERAZINYL DERIVATIVES USEFUL AS MODULATORS OF THE NEUROPEPTIDE Y2 RECEPTOR JANSSEN PHARMACEUTICA NV (BE) 2012-01-19 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 (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-20120015957-A1 PIPERAZINYL DERIVATIVES USEFUL AS MODULATORS OF THE NEUROPEPTIDE Y2 RECEPTOR NPY2R, NPY1R, NPY5R RBP4 3968/4885TBK1 3841/4885HDAC4 2569/4885

“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.