SCHEMBL16033804

SCHEMBL16033804

CC(C)(C)OC(=O)N1CCc2c(ncnc2OS(=O)(=O)C(F)(F)F)C1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 1/20 0.40
NR1H2 P55055 1/20 0.40
CYP8B1 Q9UNU6 1/20 0.40
MKNK1 Q9BUB5 7/20 0.40
GPR119 Q8TDV5 2/20 0.40
SCN9A Q15858 1/20 0.40
PARP1 P09874 1/20 0.39
TNKS2 Q9H2K2 1/20 0.39
PARP2 Q9UGN5 1/20 0.39
MAPT P10636 2/20 0.39
MET P08581 1/20 0.38
ESR2 Q92731 1/20 0.38
P2RX3 P56373 1/20 0.38

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
SCHEMBL17454497 0.87 P2RX7 (0.41)
SCHEMBL31518819 0.83 ADORA1 (0.46) ADORA1NR1H2MKNK1PARP1TNKS2
SCHEMBL22011297 0.83 PARP1 (0.41) ADORA1NR1H2CYP8B1GPR119PARP1
SCHEMBL30776238 0.83 PARP1 (0.41) ADORA1NR1H2CYP8B1GPR119PARP1
SCHEMBL29899538 0.81 ADORA1 (0.45) ADORA1NR1H2MKNK1PARP1TNKS2
SCHEMBL9951760 0.81 ESR2 (0.48) ADORA1NR1H2MKNK1PARP1TNKS2
SCHEMBL19617493 0.81 PARP1 (0.40) ADORA1NR1H2CYP8B1SCN9APARP1
SCHEMBL29899537 0.79 MKNK1 (0.46) ADORA1NR1H2MKNK1PARP1TNKS2
SCHEMBL29899511 0.79 GPR119 (0.49) NR1H2GPR119
SCHEMBL29899524 0.79 NR1H2 (0.42) ADORA1NR1H2MKNK1PARP1TNKS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10323032-B2 P2X7 Modulators JANSSEN PHARMACEUTICA NV (BE) 2019-06-18 US disclosed
EP-3321266-A1 P2X7 MODULATORS Janssen Pharmaceutica NV (BE) 2018-05-16 EP disclosed
US-20180072724-A1 P2X7 MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2018-03-15 US disclosed
EP-3112366-B1 P2X7 MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2018-02-28 EP disclosed
EP-2970271-B1 P2X7 MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2017-11-08 EP disclosed
US-20170174680-A1 P2X7 MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2017-06-22 US disclosed
US-9604982-B2 P2X7 modulators JANSSEN PHARMACEUTICA NV (BE) 2017-03-28 US disclosed
EP-3112366-A1 P2X7 MODULATORS Janssen Pharmaceutica, N.V. (BE) 2017-01-04 EP disclosed
US-9096596-B2 P2X7 modulators JANSSEN PHARMACEUTICA NV (BE) 2015-08-04 US disclosed
US-20140275120-A1 P2X7 MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2014-09-18 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 (4 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-10323032-B2 P2X7 Modulators P2RX7, P2RX1, P2RX3 ADORA1 15/4885NR1H2 583/4885CYP8B1 2188/4885
US-20140275120-A1 P2X7 MODULATORS P2RX7, P2RX1, P2RX3 ADORA1 15/4885NR1H2 552/4885CYP8B1 2119/4885
US-20170174680-A1 P2X7 MODULATORS P2RX7, P2RX1, P2RX3 ADORA1 15/4885NR1H2 583/4885CYP8B1 2188/4885
US-20180072724-A1 P2X7 MODULATORS P2RX7, P2RX1, P2RX3 ADORA1 15/4885NR1H2 583/4885CYP8B1 2188/4885

“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.