SCHEMBL146774

SCHEMBL146774

O=C(c1cc2ccc(-c3ccccc3)cc2s1)N1CC(N2CC(N3Cc4ccccc4C3=O)C2)C1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 1/20 0.48
KDM5A P29375 1/20 0.39
HRH4 Q9H3N8 1/20 0.37
DPP4 P27487 1/20 0.36
DPP8 Q6V1X1 1/20 0.36
MTR Q99707 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
F10 P00742 1/20 0.34
HCRTR1 O43613 6/20 0.33
HCRTR2 O43614 6/20 0.33
ROCK2 O75116 1/20 0.33
MCHR1 Q99705 1/20 0.33
SCN1A P35498 1/20 0.33
SCN5A Q14524 1/20 0.33
SCN9A Q15858 1/20 0.33
HDAC1 Q13547 1/20 0.32

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
SCHEMBL145401 0.93 MGLL (0.48) MGLLKDM5AHRH4DPP4DPP8
SCHEMBL146953 0.89 MGLL (0.43) MGLLKDM5AHRH4DPP4DPP8
SCHEMBL143941 0.88 MGLL (0.49) MGLLKDM5AHRH4DPP4DPP8
SCHEMBL121564 0.86 MGLL (0.51) MGLLKDM5AHRH4DPP4DPP8
SCHEMBL121565 0.83 MGLL (0.62) MGLLKDM5AMTRL3MBTL1F10
SCHEMBL146020 0.83 MGLL (0.43) MGLLKDM5AHRH4DPP4DPP8
SCHEMBL146497 0.83 MGLL (0.49) MGLLKDM5AHRH4DPP4DPP8
SCHEMBL145405 0.82 MGLL (0.45) MGLLKDM5AMTRHCRTR1HCRTR2
SCHEMBL147191 0.81 MGLL (0.44) MGLLKDM5AMTRF10
SCHEMBL121298 0.81 MGLL (0.58) MGLLKDM5AMTRL3MBTL1SCN1A

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 1/4885KDM5A 2794/4885HRH4 2712/4885
US-20130196968-A1 DI-AZETIDINYL DIAMIDE AS MONOACYLGLCEROL LIPASE INHIBITORS MGLL, PNLIP, LPL MGLL 1/4885KDM5A 2794/4885HRH4 2712/4885
US-20120058986-A1 DI-AZETIDINYL DIAMIDE AS MONOACYLGLYCEROL LIPASE INHIBITORS PNLIP, LPL, LIPA MGLL 4/4885KDM5A 1857/4885HRH4 2843/4885

“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.