SCHEMBL148534

SCHEMBL148534

O=C(c1ccc(-c2ccc(C(F)(F)F)s2)cc1)N1CC(N2CC(N3Cc4ccccc4C3=O)C2)C1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 2/20 0.52
KDM5A P29375 1/20 0.39
SCN1A P35498 5/20 0.35
SCN5A Q14524 5/20 0.35
SCN9A Q15858 5/20 0.35
MTR Q99707 1/20 0.33
MCHR1 Q99705 1/20 0.33
NAMPT P43490 1/20 0.33
SLC6A7 Q99884 1/20 0.32
L3MBTL3 Q96JM7 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
GRIN1 Q05586 2/20 0.32
GRIN2B Q13224 2/20 0.32
HCRTR1 O43613 1/20 0.32
HCRTR2 O43614 1/20 0.32
HDAC4 P56524 1/20 0.32
PDK2 Q15119 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
SCHEMBL121298 0.83 MGLL (0.58) MGLLKDM5ASCN1ASCN5ASCN9A
SCHEMBL143096 0.82 MGLL (0.54) MGLLKDM5ASCN1ASCN5ASCN9A
SCHEMBL149492 0.79 MGLL (0.58) MGLLKDM5ASCN1ASCN5ASCN9A
SCHEMBL141938 0.78 MGLL (0.54) MGLLKDM5ASCN1ASCN5ASCN9A
SCHEMBL911330 0.78 MGLL (0.52) MGLLSLC6A7L3MBTL3L3MBTL1HDAC4
SCHEMBL147725 0.77 MGLL (0.56) MGLLKDM5ASCN1ASCN5ASCN9A
SCHEMBL145938 0.76 MGLL (0.51) MGLLKDM5ASLC6A7
SCHEMBL121565 0.76 MGLL (0.62) MGLLKDM5ASCN1ASCN5ASCN9A
SCHEMBL145780 0.75 MGLL (0.59) MGLLKDM5AMTRL3MBTL3L3MBTL1
SCHEMBL142293 0.74 MGLL (0.60) MGLLKDM5ASCN1ASCN5ASCN9A

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 8 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
EP-2611774-A1 DI-AZETIDINYL DIAMIDE AS MONOACYLGLYCEROL LIPASE INHIBITORS Janssen Pharmaceutica, N.V. (BE) 2013-07-10 EP disclosed
WO-2012030907-A1 DI-AZETIDINYL DIAMIDE AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2012-03-08 WO 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 2794/4885SCN1A 2057/4885
US-20130196968-A1 DI-AZETIDINYL DIAMIDE AS MONOACYLGLCEROL LIPASE INHIBITORS MGLL, PNLIP, LPL MGLL 1/4885KDM5A 2794/4885SCN1A 2057/4885
US-20120058986-A1 DI-AZETIDINYL DIAMIDE AS MONOACYLGLYCEROL LIPASE INHIBITORS PNLIP, LPL, LIPA MGLL 4/4885KDM5A 1857/4885SCN1A 1643/4885

“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.