SCHEMBL867560

SCHEMBL867560

CC(C)(C)OC(=O)NCCNC1CN(C(=O)c2cc3ccc(C(F)(F)F)cc3s2)C1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 2/20 0.44
MGLL Q99685 1/20 0.40
ACKR3 P25106 1/20 0.40
JAK2 O60674 1/20 0.37
JAK1 P23458 1/20 0.37
MCL1 Q07820 1/20 0.36
PRLHR P49683 1/20 0.36
SCN9A Q15858 2/20 0.36
SCN10A Q9Y5Y9 1/20 0.36
CYP2C9 P11712 1/20 0.36
NAMPT P43490 1/20 0.36
P2RY14 Q15391 2/20 0.35
CCRL2 O00421 1/20 0.35
CACNA1H O95180 1/20 0.35
CACNA1B Q00975 1/20 0.35
CACNA1C Q13936 1/20 0.35
HRH4 Q9H3N8 1/20 0.34
HTR3A P46098 1/20 0.34
DPP4 P27487 1/20 0.34
DPP8 Q6V1X1 1/20 0.34

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
SCHEMBL10114337 0.86 CHRNA7 (0.48) CHRNA7MGLLJAK2JAK1PRLHR
SCHEMBL900645 0.75 CHRNA7 (0.40) CHRNA7MGLLACKR3P2RY14CACNA1H
SCHEMBL120247 0.73 CHRNA7 (0.47) CHRNA7MGLLJAK2JAK1CCRL2
SCHEMBL2720564 0.71 CHRNA7 (0.45) CHRNA7MGLLNAMPT
SCHEMBL2130918 0.71 CHRNA7 (0.45) CHRNA7MGLLNAMPT
SCHEMBL694263 0.70 SCN9A (0.49) CHRNA7MGLLJAK2JAK1SCN9A
SCHEMBL698796 0.69 MGLL (0.47) CHRNA7MGLLJAK2JAK1SCN9A
SCHEMBL868379 0.69 MGLL (0.49) CHRNA7MGLLJAK2JAK1PRLHR
SCHEMBL4654119 0.69 HDAC1 (0.52) CHRNA7MCL1HDAC4HDAC6
SCHEMBL4622900 0.69 EPHX1 (0.49) CYP2C9NAMPT

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
US-8637498-B2 Oxopiperazine-azetidine amides and oxodiazepine-azetidine amides as monoacylglycerol lipase inhibitors JANSSEN PHARMACEUTICA, NV (BE) 2014-01-28 US disclosed
US-8637498-B2 Oxopiperazine-azetidine amides and oxodiazepine-azetidine amides as monoacylglycerol lipase inhibitors JANSSEN PHARMACEUTICA, NV (BE) 2014-01-28 US disclosed
WO-2012044613-A1 OXOPIPERAZINE-AZETIDINE AMIDES AND OXODIAZEPINE-AZETIDINE AMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2012-04-05 WO disclosed
US-20120077797-A1 OXOPIPERAZINE-AZETIDINE AMIDES AND OXODIAZEPINE-AZETIDINE AMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2012-03-29 US disclosed
US-20120077797-A1 OXOPIPERAZINE-AZETIDINE AMIDES AND OXODIAZEPINE-AZETIDINE AMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2012-03-29 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-20120077797-A1 OXOPIPERAZINE-AZETIDINE AMIDES AND OXODIAZEPINE-AZETIDINE AMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS LPL, PNLIP, LIPA CHRNA7 1801/4885MGLL 6/4885ACKR3 2011/4885

“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.