SCHEMBL144069

SCHEMBL144069

O=C(NC1CN(C2CN(C(=O)c3ccc(Oc4ccccc4)cc3)C2)C1)c1nccs1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 8/20 0.56
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
CHRNB2 P17787 1/20 0.45
CHRNB4 P30926 1/20 0.45
CHRNA3 P32297 1/20 0.45
CHRNA7 P36544 1/20 0.45
CHRNA4 P43681 1/20 0.45
SLC6A7 Q99884 1/20 0.43
TNKS O95271 1/20 0.41
BTK Q06187 3/20 0.41
USP30 Q70CQ3 2/20 0.40
HTT P42858 1/20 0.40
FAAH O00519 1/20 0.39
EZH2 Q15910 1/20 0.39

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
SCHEMBL149349 0.89 MGLL (0.59) MGLLMEN1KMT2ASLC6A7TNKS
SCHEMBL144730 0.89 MGLL (0.59) MGLLMEN1KMT2ASLC6A7TNKS
SCHEMBL145187 0.86 MGLL (0.56) MGLLSLC6A7TNKSFAAH
SCHEMBL145770 0.85 MGLL (0.60) MGLLMEN1KMT2ATNKSFAAH
SCHEMBL16564154 0.83 MEN1 (0.54) MGLLMEN1KMT2ACHRNB2CHRNB4
SCHEMBL148823 0.83 MGLL (0.62) MGLLMEN1KMT2ASLC6A7TNKS
SCHEMBL145555 0.80 MGLL (0.64) MGLLMEN1KMT2ATNKSFAAH
SCHEMBL145402 0.80 MGLL (0.60) MGLLSLC6A7FAAH
SCHEMBL148745 0.79 MGLL (0.74) MGLLTNKSFAAH
SCHEMBL145592 0.79 MGLL (0.58) MGLLSLC6A7TNKSFAAH

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 1/4885MEN1 2640/4885KMT2A 2355/4885
US-20130196968-A1 DI-AZETIDINYL DIAMIDE AS MONOACYLGLCEROL LIPASE INHIBITORS MGLL, PNLIP, LPL MGLL 1/4885MEN1 2640/4885KMT2A 2355/4885
US-20120058986-A1 DI-AZETIDINYL DIAMIDE AS MONOACYLGLYCEROL LIPASE INHIBITORS PNLIP, LPL, LIPA MGLL 4/4885MEN1 3178/4885KMT2A 2049/4885

“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.