SCHEMBL143096

SCHEMBL143096

O=C(c1ccc(-c2cc3ccccc3s2)cc1)N1CC(N2CC(N3Cc4ccccc4C3=O)C2)C1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 1/20 0.54
KDM5A P29375 1/20 0.39
IKBKB O14920 3/20 0.38
CHUK O15111 3/20 0.38
IKBKG Q9Y6K9 3/20 0.38
MEN1 O00255 1/20 0.38
RECQL P46063 1/20 0.38
BLM P54132 1/20 0.38
KMT2A Q03164 1/20 0.38
PRKCZ Q05513 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
EIF4E P06730 1/20 0.38
MKNK1 Q9BUB5 1/20 0.38
MKNK2 Q9HBH9 1/20 0.38
APP P05067 2/20 0.37
CD274 Q9NZQ7 1/20 0.37
AVPR1A P37288 1/20 0.35
CA1 P00915 2/20 0.35
CA2 P00918 2/20 0.35
CA9 Q16790 2/20 0.35

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
SCHEMBL121298 0.83 MGLL (0.58) MGLLKDM5AMEN1KMT2ASCN1A
SCHEMBL148534 0.82 MGLL (0.52) MGLLKDM5ASCN1ASCN5ASCN9A
SCHEMBL142293 0.80 MGLL (0.60) MGLLKDM5ACD274SCN1ASCN5A
SCHEMBL121565 0.79 MGLL (0.62) MGLLKDM5ASCN1ASCN5ASCN9A
SCHEMBL149492 0.79 MGLL (0.58) MGLLKDM5AAVPR1ASCN1ASCN5A
SCHEMBL146774 0.78 MGLL (0.48) MGLLKDM5ASCN1ASCN5ASCN9A
SCHEMBL145401 0.78 MGLL (0.48) MGLLKDM5ASCN1ASCN5ASCN9A
SCHEMBL148601 0.78 MGLL (0.60) MGLLKDM5AMEN1KMT2ASCN1A
SCHEMBL145938 0.78 MGLL (0.51) MGLLKDM5A
SCHEMBL147725 0.77 MGLL (0.56) MGLLKDM5AMEN1KMT2ASCN1A

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 1/4885KDM5A 2794/4885IKBKB 2749/4885
US-20130196968-A1 DI-AZETIDINYL DIAMIDE AS MONOACYLGLCEROL LIPASE INHIBITORS MGLL, PNLIP, LPL MGLL 1/4885KDM5A 2794/4885IKBKB 2749/4885
US-20120058986-A1 DI-AZETIDINYL DIAMIDE AS MONOACYLGLYCEROL LIPASE INHIBITORS PNLIP, LPL, LIPA MGLL 4/4885KDM5A 1857/4885IKBKB 1389/4885

“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.