SCHEMBL145808

SCHEMBL145808

O=C(c1ccc2c(ccn2-c2ccccc2)c1)N1CC(N2CC(N3Cc4ccccc4C3=O)C2)C1

nearest known ligand 0.87

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 15/20 0.87
FAAH O00519 1/20 0.44
HPGD P15428 1/20 0.43
TRAP1 Q12931 1/20 0.39
KDM5A P29375 1/20 0.39
PLA2G4A P47712 1/20 0.36
OXTR P30559 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
SCHEMBL145656 0.93 MGLL (1.00) MGLLFAAHHPGD
SCHEMBL145465 0.92 MGLL (0.85) MGLLFAAHHPGDTRAP1
SCHEMBL145783 0.86 MGLL (0.73) MGLLFAAHHPGDTRAP1KDM5A
SCHEMBL148800 0.84 MGLL (0.66) MGLLHPGD
SCHEMBL121565 0.81 MGLL (0.62) MGLLHPGDKDM5A
SCHEMBL31633009 0.80 MGLL (0.79) MGLLFAAHHPGDKDM5AOXTR
SCHEMBL121366 0.80 MGLL (0.63) MGLLHPGDKDM5A
SCHEMBL142293 0.80 MGLL (0.60) MGLLKDM5A
SCHEMBL121298 0.79 MGLL (0.58) MGLLHPGDKDM5A
SCHEMBL148601 0.78 MGLL (0.60) MGLLHPGDTRAP1KDM5A

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-8759333-B2 Di-azetidinyl diamide as monoacylglycerol lipase inhibitors JANSSEN PHARMACEUTICA NV (BE) 2014-06-24 US disclosed
US-8759533-B2 Di-azetidinyl diamide as monoacylglcerol 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 1/4885FAAH 86/4885HPGD 854/4885
US-20130196968-A1 DI-AZETIDINYL DIAMIDE AS MONOACYLGLCEROL LIPASE INHIBITORS MGLL, PNLIP, LPL MGLL 1/4885FAAH 86/4885HPGD 854/4885
US-20120058986-A1 DI-AZETIDINYL DIAMIDE AS MONOACYLGLYCEROL LIPASE INHIBITORS PNLIP, LPL, LIPA MGLL 4/4885FAAH 79/4885HPGD 515/4885

“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.