SCHEMBL145187

SCHEMBL145187

O=C(NC1CN(C2CN(C(=O)c3ccc(Cc4ccccc4)cc3)C2)C1)c1nccs1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 9/20 0.56
TNKS O95271 1/20 0.41
ALDH1A1 P00352 1/20 0.39
FAAH O00519 1/20 0.39
F2 P00734 1/20 0.38
SLC6A7 Q99884 1/20 0.38
CHRM4 P08173 1/20 0.38
PRKAA2 P54646 3/20 0.38
PRKAB2 O43741 2/20 0.38
PRKAG1 P54619 2/20 0.38
PRKAA1 Q13131 2/20 0.38
PRKAG3 Q9UGI9 2/20 0.38
PRKAG2 Q9UGJ0 2/20 0.38
PRKAB1 Q9Y478 2/20 0.38
TLR2 O60603 1/20 0.37
TLR1 Q15399 1/20 0.37
PLA2G4A P47712 1/20 0.36
SLC6A5 Q9Y345 1/20 0.36

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
SCHEMBL149349 0.89 MGLL (0.59) MGLLTNKSALDH1A1FAAHF2
SCHEMBL144730 0.89 MGLL (0.59) MGLLTNKSALDH1A1FAAHF2
SCHEMBL148315 0.89 MGLL (0.57) MGLLFAAHSLC6A5
SCHEMBL142473 0.88 MGLL (0.55) MGLLALDH1A1FAAH
SCHEMBL144069 0.86 MGLL (0.56) MGLLTNKSFAAHSLC6A7
SCHEMBL145770 0.85 MGLL (0.60) MGLLTNKSFAAHTLR2TLR1
SCHEMBL16564487 0.83 CHRM1 (0.48) MGLLALDH1A1TLR2TLR1SLC6A5
SCHEMBL148823 0.81 MGLL (0.62) MGLLTNKSFAAHSLC6A7TLR2
SCHEMBL145402 0.80 MGLL (0.60) MGLLFAAHSLC6A7
SCHEMBL146338 0.80 MGLL (0.56) MGLLTNKSALDH1A1FAAH

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 1/4885TNKS 3241/4885ALDH1A1 636/4885
US-20130196968-A1 DI-AZETIDINYL DIAMIDE AS MONOACYLGLCEROL LIPASE INHIBITORS MGLL, PNLIP, LPL MGLL 1/4885TNKS 3241/4885ALDH1A1 636/4885
US-20120058986-A1 DI-AZETIDINYL DIAMIDE AS MONOACYLGLYCEROL LIPASE INHIBITORS PNLIP, LPL, LIPA MGLL 4/4885TNKS 2647/4885ALDH1A1 554/4885

“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.