SCHEMBL10114337

SCHEMBL10114337

CCCNC1CN(C(=O)c2cc3ccc(C(F)(F)F)cc3s2)C1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 2/20 0.48
MGLL Q99685 1/20 0.43
SCN9A Q15858 2/20 0.40
SCN10A Q9Y5Y9 1/20 0.40
JAK2 O60674 1/20 0.38
JAK1 P23458 1/20 0.38
HRH4 Q9H3N8 1/20 0.37
HTR3A P46098 1/20 0.37
DPP4 P27487 1/20 0.36
DPP8 Q6V1X1 1/20 0.36
DYRK1A Q13627 1/20 0.36
TP53 P04637 1/20 0.36
CYP2D6 P10635 1/20 0.36
ALDH1A1 P00352 1/20 0.36
POLB P06746 1/20 0.36
CSNK1D P48730 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
PRLHR P49683 1/20 0.35
TEAD1 P28347 2/20 0.35

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
SCHEMBL867560 0.86 CHRNA7 (0.44) CHRNA7MGLLSCN9ASCN10AJAK2
SCHEMBL120247 0.80 CHRNA7 (0.47) CHRNA7MGLLJAK2JAK1HRH4
SCHEMBL868379 0.76 MGLL (0.49) CHRNA7MGLLSCN9AJAK2JAK1
SCHEMBL2130918 0.75 CHRNA7 (0.45) CHRNA7MGLLTEAD1
SCHEMBL2720564 0.75 CHRNA7 (0.45) CHRNA7MGLLTEAD1
SCHEMBL694263 0.74 SCN9A (0.49) CHRNA7MGLLSCN9ASCN10AJAK2
SCHEMBL698796 0.74 MGLL (0.47) CHRNA7MGLLSCN9ASCN10AJAK2
SCHEMBL2135364 0.72 RBP4 (0.45) CHRNA7MGLLSCN9AJAK2JAK1
SCHEMBL16564221 0.72 MGLL (0.53) CHRNA7MGLLSCN9ASCN10AJAK2
SCHEMBL16564435 0.72 MGLL (0.53) CHRNA7MGLLJAK2JAK1HTR3A

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 2 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-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 6/4885SCN9A 158/4885

“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.