SCHEMBL148315

SCHEMBL148315

O=C(NC1CN(C2CN(C(=O)c3ccc(Cc4ccc(C(F)(F)F)cc4)cc3)C2)C1)c1nccs1

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 6/20 0.57
CCR2 P41597 5/20 0.41
KCNH2 Q12809 4/20 0.41
SLC6A5 Q9Y345 6/20 0.41
DRD4 P21917 1/20 0.40
HTR2A P28223 1/20 0.40
FAAH O00519 1/20 0.40
SCN3A Q9NY46 1/20 0.39
CCRL2 O00421 2/20 0.38

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
SCHEMBL145402 0.92 MGLL (0.60) MGLLCCR2KCNH2DRD4HTR2A
SCHEMBL142473 0.92 MGLL (0.55) MGLLCCR2KCNH2DRD4FAAH
SCHEMBL145187 0.89 MGLL (0.56) MGLLSLC6A5FAAH
SCHEMBL15949400 0.84 MGLL (0.56) MGLLFAAH
SCHEMBL912506 0.84 MGLL (0.56) MGLLFAAH
SCHEMBL145001 0.83 MGLL (0.57) MGLLCCR2KCNH2DRD4FAAH
SCHEMBL149616 0.83 DRD4 (0.49) MGLLCCR2KCNH2SLC6A5DRD4
SCHEMBL145770 0.82 MGLL (0.60) MGLLFAAH
SCHEMBL16564522 0.82 MGLL (0.85) MGLLCCR2KCNH2FAAH
SCHEMBL16564451 0.81 MGLL (0.53) MGLLCCR2KCNH2FAAHCCRL2

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 1/4885CCR2 3209/4885KCNH2 1168/4885
US-20130196968-A1 DI-AZETIDINYL DIAMIDE AS MONOACYLGLCEROL LIPASE INHIBITORS MGLL, PNLIP, LPL MGLL 1/4885CCR2 3209/4885KCNH2 1168/4885
US-20120058986-A1 DI-AZETIDINYL DIAMIDE AS MONOACYLGLYCEROL LIPASE INHIBITORS PNLIP, LPL, LIPA MGLL 4/4885CCR2 3960/4885KCNH2 880/4885

“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.