SCHEMBL145378

SCHEMBL145378

O=C(NC1CN(C2CN(C(=O)c3cc4ccc(Br)cc4s3)C2)C1)c1nccs1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 8/20 0.51
CHRNA7 P36544 1/20 0.41
MEN1 O00255 1/20 0.40
RAB9A P51151 1/20 0.40
KMT2A Q03164 1/20 0.40
TNKS O95271 1/20 0.36
FAAH O00519 1/20 0.35
KRAS P01116 1/20 0.33
CASP3 P42574 2/20 0.33
SENP8 Q96LD8 2/20 0.33
SENP7 Q9BQF6 2/20 0.33
SENP6 Q9GZR1 2/20 0.33
DHPS P49366 1/20 0.33
ROCK2 O75116 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
HRH4 Q9H3N8 1/20 0.32

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
SCHEMBL146524 0.87 MGLL (0.49) MGLLTNKSFAAHCASP3SENP8
SCHEMBL16564435 0.87 MGLL (0.53) MGLLCHRNA7FAAH
SCHEMBL145555 0.84 MGLL (0.64) MGLLMEN1RAB9AKMT2ATNKS
SCHEMBL145770 0.82 MGLL (0.60) MGLLMEN1RAB9AKMT2ATNKS
SCHEMBL16564476 0.82 MGLL (0.48) MGLLMEN1RAB9AKMT2ATNKS
SCHEMBL2131925 0.79 CYP3A4 (0.43) MGLLCHRNA7MEN1RAB9AKMT2A
SCHEMBL16564453 0.78 MGLL (0.49) MGLLCHRNA7TNKSFAAH
SCHEMBL147100 0.74 MGLL (0.61) MGLLMEN1RAB9AKMT2ATNKS
SCHEMBL148823 0.73 MGLL (0.62) MGLLMEN1RAB9AKMT2ATNKS
SCHEMBL16564530 0.73 MGLL (0.53) MGLLFAAH

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 1/4885CHRNA7 4634/4885MEN1 2640/4885
US-20130196968-A1 DI-AZETIDINYL DIAMIDE AS MONOACYLGLCEROL LIPASE INHIBITORS MGLL, PNLIP, LPL MGLL 1/4885CHRNA7 4634/4885MEN1 2640/4885
US-20120058986-A1 DI-AZETIDINYL DIAMIDE AS MONOACYLGLYCEROL LIPASE INHIBITORS PNLIP, LPL, LIPA MGLL 4/4885CHRNA7 4382/4885MEN1 3178/4885

“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.