SCHEMBL149616

SCHEMBL149616

O=C(NC1CN(C2CN(C(=O)c3ccc(Cc4ccc(C(F)(F)F)cc4)cc3)C2)C1)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 2/20 0.49
DRD2 P14416 1/20 0.49
MGLL Q99685 1/20 0.48
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
SIGMAR1 Q99720 1/20 0.47
SLC6A5 Q9Y345 6/20 0.46
F2R P25116 5/20 0.44
PRKAB2 O43741 1/20 0.44
PRKAG1 P54619 1/20 0.44
PRKAA2 P54646 1/20 0.44
PRKAA1 Q13131 1/20 0.44
PRKAG3 Q9UGI9 1/20 0.44
PRKAG2 Q9UGJ0 1/20 0.44
PRKAB1 Q9Y478 1/20 0.44
CHRM1 P11229 1/20 0.44
CCR2 P41597 1/20 0.44
KCNH2 Q12809 1/20 0.44

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
SCHEMBL16564487 0.91 CHRM1 (0.48) DRD4DRD2MGLLMEN1KMT2A
SCHEMBL15949414 0.85 MGLL (0.64) MGLLMEN1KMT2ASIGMAR1PRKAB2
SCHEMBL148315 0.83 MGLL (0.57) DRD4MGLLSLC6A5CCR2KCNH2
SCHEMBL121355 0.81 SMN1; SMN2 (0.57) DRD4DRD2MEN1KMT2ACHRM1
SCHEMBL16564154 0.78 MEN1 (0.54) MGLLMEN1KMT2ASLC6A5F2R
SCHEMBL2129398 0.78 SIGMAR1 (0.50) DRD4DRD2MEN1KMT2ASIGMAR1
SCHEMBL2129400 0.78 SIGMAR1 (0.50) DRD4DRD2MEN1KMT2ASIGMAR1
SCHEMBL142473 0.77 MGLL (0.55) DRD4MGLLKMT2ACCR2KCNH2
SCHEMBL15196702 0.76 MGLL (0.57) MGLLSIGMAR1PRKAB2PRKAG1PRKAA2
SCHEMBL145187 0.76 MGLL (0.56) MGLLSLC6A5PRKAB2PRKAG1PRKAA2

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 DRD4 2836/4885DRD2 1474/4885MGLL 1/4885
US-20130196968-A1 DI-AZETIDINYL DIAMIDE AS MONOACYLGLCEROL LIPASE INHIBITORS MGLL, PNLIP, LPL DRD4 2836/4885DRD2 1474/4885MGLL 1/4885
US-20120058986-A1 DI-AZETIDINYL DIAMIDE AS MONOACYLGLYCEROL LIPASE INHIBITORS PNLIP, LPL, LIPA DRD4 1527/4885DRD2 676/4885MGLL 4/4885

“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.