SCHEMBL150850

SCHEMBL150850

CN(C(=O)c1cscn1)C1CN(C2CN(C(=O)c3cc4ccc(C(F)(F)F)cc4s3)C2)C1

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 7/20 0.51
MCHR1 Q99705 4/20 0.38
CHRNA7 P36544 1/20 0.38
JAK2 O60674 1/20 0.37
JAK1 P23458 1/20 0.37
SCN9A Q15858 6/20 0.35
SCN10A Q9Y5Y9 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
SCHEMBL912520 0.84 MGLL (0.69) MGLLCHRNA7JAK2JAK1SCN9A
SCHEMBL16564221 0.84 MGLL (0.53) MGLLCHRNA7JAK2JAK1SCN9A
SCHEMBL142449 0.83 CHRNA7 (0.40) MGLLMCHR1CHRNA7JAK2JAK1
SCHEMBL911380 0.78 MGLL (0.67) MGLLCHRNA7SCN9ASCN10A
SCHEMBL912643 0.78 MGLL (0.67) MGLLCHRNA7SCN9ASCN10A
SCHEMBL120247 0.76 CHRNA7 (0.47) MGLLCHRNA7JAK2JAK1
SCHEMBL122498 0.76 MGLL (0.38) MGLLCHRNA7JAK2JAK1
SCHEMBL120252 0.76 CHRNA7 (0.40) MGLLCHRNA7JAK2JAK1
SCHEMBL2135736 0.76 MGLL (0.49) MGLLMCHR1CHRNA7JAK2JAK1
SCHEMBL694263 0.73 SCN9A (0.49) MGLLCHRNA7JAK2JAK1SCN9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2611774-B1 DI-AZETIDINYL DIAMIDE AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2015-03-18 EP disclosed
US-8759533-B2 Di-azetidinyl diamide as monoacylglcerol lipase inhibitors JANSSEN PHARMACEUTICA NV (BE) 2014-06-24 US disclosed
US-8759333-B2 Di-azetidinyl diamide as monoacylglycerol lipase inhibitors JANSSEN PHARMACEUTICA NV (BE) 2014-06-24 US disclosed
US-20130196969-A1 DI-AZETIDINYL DIAMIDE AS MONOACYLGLCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA, NV (BE) 2013-08-01 US disclosed
US-20130196968-A1 DI-AZETIDINYL DIAMIDE AS MONOACYLGLCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA, NV (BE) 2013-08-01 US disclosed
US-20120058986-A1 DI-AZETIDINYL DIAMIDE AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2012-03-08 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 (3 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-20130196969-A1 DI-AZETIDINYL DIAMIDE AS MONOACYLGLCEROL LIPASE INHIBITORS MGLL, PNLIP, LPL MGLL 1/4885MCHR1 4236/4885CHRNA7 4634/4885
US-20130196968-A1 DI-AZETIDINYL DIAMIDE AS MONOACYLGLCEROL LIPASE INHIBITORS MGLL, PNLIP, LPL MGLL 1/4885MCHR1 4236/4885CHRNA7 4634/4885
US-20120058986-A1 DI-AZETIDINYL DIAMIDE AS MONOACYLGLYCEROL LIPASE INHIBITORS PNLIP, LPL, LIPA MGLL 4/4885MCHR1 4322/4885CHRNA7 4382/4885

“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.