SCHEMBL17596208

SCHEMBL17596208

CC(C)(C)OC(=O)N1CCNC(=S)C1c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.45
NR1H2 P55055 6/20 0.41
NR1H3 Q13133 5/20 0.41
RXRA P19793 2/20 0.41
GPR119 Q8TDV5 1/20 0.41
RORC P51449 2/20 0.39
BACE1 P56817 2/20 0.39
ABCB1 P08183 1/20 0.39
RIPK1 Q13546 1/20 0.39
HCRTR2 O43614 1/20 0.38
HTRA1 Q92743 1/20 0.37

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
SCHEMBL2539220 0.86 MAPK1 (0.46) MAPK1NR1H2NR1H3RXRAGPR119
SCHEMBL1747677 0.81 POLB (0.36) MAPK1GPR119
SCHEMBL6268801 0.79 NR1H2 (0.48) MAPK1NR1H2NR1H3RXRAGPR119
SCHEMBL17596585 0.78 MAPK1 (0.41) MAPK1NR1H2GPR119
SCHEMBL17596640 0.78 MAPK1 (0.41) MAPK1NR1H2GPR119
SCHEMBL31566636 0.76 NR1H2 (0.44) NR1H2NR1H3RXRAGPR119RORC
SCHEMBL5548872 0.76 POLB (0.40) MAPK1NR1H2NR1H3RXRAGPR119
SCHEMBL6207940 0.74 RIPK1 (0.46) NR1H2NR1H3RXRAGPR119RORC
SCHEMBL874416 0.74 NR1H2 (0.49) MAPK1NR1H2NR1H3RXRAGPR119
SCHEMBL4325057 0.74 NR1H2 (0.49) MAPK1NR1H2NR1H3RXRAGPR119

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3191488-B1 P2X7 MODULATING N-ACYL-TRIAZOLOPYRAZINES JANSSEN PHARMACEUTICA NV (BE) 2019-08-14 EP disclosed
US-20180118749-A1 P2X7 MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2018-05-03 US disclosed
US-20180118749-A1 P2X7 MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2018-05-03 US disclosed
EP-3191488-A1 P2X7 MODULATING N-ACYL-TRIAZOLOPYRAZINES Janssen Pharmaceutica, N.V. (BE) 2017-07-19 EP disclosed
WO-2016039983-A1 P2X7 MODULATING N-ACYL-TRIAZOLOPYRAZINES JANSSEN PHARMACEUTICA NV (BE) 2016-03-17 WO 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-20180118749-A1 P2X7 MODULATORS P2RX7, P2RX3, P2RX1 MAPK1 603/4885NR1H2 384/4885NR1H3 528/4885

“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.