SCHEMBL355649

SCHEMBL355649

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TBK1 Q9UHD2 1/20 0.43
HDAC4 P56524 1/20 0.43
MAPT P10636 3/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
POLB P06746 1/20 0.41
GAA P10253 1/20 0.41
HPGD P15428 1/20 0.41
ALOX15 P16050 1/20 0.41
TSHR P16473 1/20 0.41
HSD17B10 Q99714 1/20 0.41
SCD5 Q86SK9 1/20 0.41
KIT P10721 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
GPR119 Q8TDV5 3/20 0.41
RBP4 P02753 1/20 0.40
USP30 Q70CQ3 1/20 0.40
TP53 P04637 1/20 0.39
THRB P10828 1/20 0.39
PIK3CA P42336 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
SCHEMBL356303 0.89 RBP4 (0.52) TBK1HDAC4MAPTSCD5KIT
SCHEMBL354865 0.78 GPR119 (0.55) TBK1HDAC4MAPTSCD5L3MBTL1
SCHEMBL8221031 0.78 GPR119 (0.56) HDAC4MAPTPOLBL3MBTL1GPR119
SCHEMBL356667 0.77 L3MBTL1 (0.43) HDAC4MAPTALDH1A1GAAHPGD
SCHEMBL30221986 0.76 ESR2 (0.52) MAPTALDH1A1HPGDALOX15TSHR
SCHEMBL4951947 0.76 ESR2 (0.52) MAPTALDH1A1HPGDALOX15TSHR
SCHEMBL355505 0.76 HDAC4 (0.51) HDAC4MAPTPOLBSCD5L3MBTL1
SCHEMBL354648 0.76 NPY2R (0.58) HDAC4MAPTALDH1A1HSD17B10L3MBTL1
SCHEMBL29717241 0.75 RBP4 (0.52) HDAC4MAPTALDH1A1SCD5KIT
SCHEMBL22532774 0.75 SMN1; SMN2 (0.56) MAPTALDH1A1HPGDALOX15TSHR

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 TBK1 3841/4885HDAC4 2569/4885MAPT 3596/4885

“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.