SCHEMBL144232

SCHEMBL144232

O=C(NC1CN(C2CN(C(=O)c3ccc4nc(-c5ccccc5)sc4c3)C2)C1)c1cscn1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 9/20 0.52
KDM4E B2RXH2 3/20 0.46
NFKB1 P19838 2/20 0.46
NFKB2 Q00653 2/20 0.46
RELA Q04206 2/20 0.46
LMNA P02545 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
MCHR1 Q99705 1/20 0.38
MAPT P10636 3/20 0.38
ALDH1A1 P00352 2/20 0.38
GAA P10253 2/20 0.38
HPGD P15428 2/20 0.38
NPC1 O15118 1/20 0.38
MITF O75030 1/20 0.38
POLB P06746 1/20 0.38
RECQL P46063 1/20 0.38
RAB9A P51151 1/20 0.38
GFER P55789 1/20 0.38
PAX8 Q06710 1/20 0.38
KLF5 Q13887 1/20 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
SCHEMBL146723 0.87 MGLL (0.46) MGLLLMNAMCHR1ALDH1A1HPGD
SCHEMBL696373 0.86 MGLL (0.70) MGLLKDM4ENFKB1NFKB2RELA
SCHEMBL146338 0.84 MGLL (0.56) MGLLKDM4ENFKB1NFKB2RELA
SCHEMBL699388 0.77 MGLL (0.58) MGLLKDM4ENFKB1NFKB2RELA
SCHEMBL142212 0.75 SLC6A7 (0.47) MGLL
SCHEMBL145664 0.74 MGLL (0.47) MGLLHPGDMEN1KMT2A
SCHEMBL699341 0.72 MGLL (0.70) MGLLKDM4ENFKB1NFKB2RELA
SCHEMBL868607 0.72 MGLL (0.49) MGLLKDM4ENFKB1NFKB2RELA
SCHEMBL145072 0.71 MGLL (0.72) MGLLPOLB
SCHEMBL2131733 0.71 KDM4E (0.54) MGLLKDM4ENFKB1NFKB2RELA

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 1/4885KDM4E 2642/4885NFKB1 3966/4885
US-20130196968-A1 DI-AZETIDINYL DIAMIDE AS MONOACYLGLCEROL LIPASE INHIBITORS MGLL, PNLIP, LPL MGLL 1/4885KDM4E 2642/4885NFKB1 3966/4885
US-20120058986-A1 DI-AZETIDINYL DIAMIDE AS MONOACYLGLYCEROL LIPASE INHIBITORS PNLIP, LPL, LIPA MGLL 4/4885KDM4E 1848/4885NFKB1 2820/4885

“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.