SCHEMBL143941

SCHEMBL143941

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 1/20 0.49
KDM5A P29375 2/20 0.39
HRH4 Q9H3N8 1/20 0.38
DPP4 P27487 1/20 0.37
DPP8 Q6V1X1 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.35
CHRNA7 P36544 1/20 0.35
F10 P00742 1/20 0.34
MTR Q99707 1/20 0.34
HDAC6 Q9UBN7 2/20 0.33
DHPS P49366 1/20 0.32
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA7 P43166 1/20 0.32
CA9 Q16790 1/20 0.32
NPY1R P25929 1/20 0.31
NPY5R Q15761 1/20 0.31
SCN1A P35498 1/20 0.31
SCN5A Q14524 1/20 0.31

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
SCHEMBL146497 0.93 MGLL (0.49) MGLLKDM5AHRH4DPP4DPP8
SCHEMBL146774 0.88 MGLL (0.48) MGLLKDM5AHRH4DPP4DPP8
SCHEMBL121564 0.86 MGLL (0.51) MGLLKDM5AHRH4DPP4DPP8
SCHEMBL121366 0.83 MGLL (0.63) MGLLKDM5ADPP4DPP8L3MBTL1
SCHEMBL145401 0.83 MGLL (0.48) MGLLKDM5AHRH4DPP4DPP8
SCHEMBL146953 0.82 MGLL (0.43) MGLLKDM5AHRH4DPP4DPP8
SCHEMBL142482 0.81 MGLL (0.45) MGLLKDM5AF10MTRNPC1
SCHEMBL149492 0.80 MGLL (0.58) MGLLKDM5AL3MBTL1MTRSCN1A
SCHEMBL146020 0.77 MGLL (0.43) MGLLKDM5AHRH4DPP4DPP8
SCHEMBL143096 0.75 MGLL (0.54) MGLLKDM5AMTRCA12CA1

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-20130196968-A1 DI-AZETIDINYL DIAMIDE AS MONOACYLGLCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA, NV (BE) 2013-08-01 US disclosed
US-20130196969-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.