SCHEMBL149492

SCHEMBL149492

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

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 1/20 0.58
KDM5A P29375 1/20 0.43
L3MBTL3 Q96JM7 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
GSK3B P49841 1/20 0.40
MTR Q99707 1/20 0.39
HPGD P15428 2/20 0.39
ALDH1A1 P00352 1/20 0.39
GAA P10253 1/20 0.39
SCN1A P35498 2/20 0.38
SCN5A Q14524 2/20 0.38
SCN9A Q15858 2/20 0.38
POLB P06746 1/20 0.36
CRBN Q96SW2 1/20 0.36
AVPR2 P30518 1/20 0.36
AVPR1A P37288 1/20 0.36
TLR2 O60603 1/20 0.36
TLR1 Q15399 1/20 0.36

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
SCHEMBL121366 0.90 MGLL (0.63) MGLLKDM5AL3MBTL3L3MBTL1MTR
SCHEMBL121298 0.89 MGLL (0.58) MGLLKDM5AL3MBTL3L3MBTL1MTR
SCHEMBL147725 0.86 MGLL (0.56) MGLLKDM5AL3MBTL3L3MBTL1MTR
SCHEMBL145780 0.84 MGLL (0.59) MGLLKDM5AL3MBTL3L3MBTL1MTR
SCHEMBL148601 0.83 MGLL (0.60) MGLLKDM5AMTRHPGDSCN1A
SCHEMBL121565 0.80 MGLL (0.62) MGLLKDM5AL3MBTL3L3MBTL1MTR
SCHEMBL143941 0.80 MGLL (0.49) MGLLKDM5AL3MBTL1MTRSCN1A
SCHEMBL146497 0.80 MGLL (0.49) MGLLKDM5AL3MBTL1MTRHPGD
SCHEMBL148534 0.79 MGLL (0.52) MGLLKDM5AL3MBTL3L3MBTL1MTR
SCHEMBL143096 0.79 MGLL (0.54) MGLLKDM5AMTRSCN1ASCN5A

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 2794/4885L3MBTL3 2211/4885
US-20130196968-A1 DI-AZETIDINYL DIAMIDE AS MONOACYLGLCEROL LIPASE INHIBITORS MGLL, PNLIP, LPL MGLL 1/4885KDM5A 2794/4885L3MBTL3 2211/4885
US-20120058986-A1 DI-AZETIDINYL DIAMIDE AS MONOACYLGLYCEROL LIPASE INHIBITORS PNLIP, LPL, LIPA MGLL 4/4885KDM5A 1857/4885L3MBTL3 2089/4885

“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.