SCHEMBL2134017

SCHEMBL2134017

O=C(c1cscn1)N1CC[C@H](NC2CN(C(=O)c3sc4ccc(-c5ccccc5)cc4c3F)C2)C1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 4/20 0.41
RIPK1 Q13546 1/20 0.41
KDM1A O60341 1/20 0.37
POLB P06746 1/20 0.37
MCHR1 Q99705 1/20 0.36
NAMPT P43490 1/20 0.36
FNTA P49354 1/20 0.35
FNTB P49356 1/20 0.35
PKM P14618 1/20 0.34
SCD5 Q86SK9 2/20 0.34
KMT2A Q03164 1/20 0.34
PIK3CD O00329 1/20 0.34
USP30 Q70CQ3 1/20 0.34
TLR9 Q9NR96 1/20 0.34
TLR8 Q9NR97 1/20 0.34
TLR7 Q9NYK1 1/20 0.34
KDM5B Q9UGL1 1/20 0.33
AXL P30530 1/20 0.33
FLT3 P36888 1/20 0.33
TYRO3 Q06418 1/20 0.33

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
SCHEMBL2130873 0.91 MGLL (0.49) MGLLRIPK1POLBMCHR1PKM
SCHEMBL2131337 0.90 RIPK1 (0.41) MGLLRIPK1KDM1AMCHR1NAMPT
SCHEMBL2129161 0.86 PIK3CD (0.41) MGLLPOLBKMT2APIK3CD
SCHEMBL2132013 0.85 MGLL (0.53) MGLLRIPK1KDM1AMCHR1NAMPT
SCHEMBL2734466 0.85 MGLL (0.53) MGLLRIPK1POLBMCHR1PKM
SCHEMBL2130544 0.85 MGLL (0.53) MGLLRIPK1POLBMCHR1PKM
SCHEMBL2136270 0.84 CYP3A4 (0.48) MGLLKDM1APIK3CD
SCHEMBL2131562 0.83 MGLL (0.41) MGLLRIPK1KDM1AMCHR1NAMPT
SCHEMBL2132003 0.83 MGLL (0.47) MGLLPKM
SCHEMBL2132826 0.81 MGLL (0.41) MGLLRIPK1KDM1APOLBMCHR1

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8748417-B2 Amino-pyrrolidine-azetidine diamides as monoacylglycerol lipase inhibitors JANSSEN PHARMACEUTICA N.V. (BE) 2014-06-10 US claimed
US-8575363-B2 Amino-pyrrolidine-azetidine diamides as monoacylglycerol lipase inhibitors JANSSEN PHARMACEUTICA N.V. (BE) 2013-11-05 US claimed
US-20130196970-A1 AMINO-PYRROLIDINE-AZETIDINE DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA, NV (BE) 2013-08-01 US claimed
US-20120101081-A1 AMINO-PYRROLIDINE-AZETIDINE DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA, NV (BE) 2012-04-26 US claimed
US-8748417-B2 Amino-pyrrolidine-azetidine diamides as monoacylglycerol lipase inhibitors JANSSEN PHARMACEUTICA N.V. (BE) 2014-06-10 US disclosed
US-8575363-B2 Amino-pyrrolidine-azetidine diamides as monoacylglycerol lipase inhibitors JANSSEN PHARMACEUTICA N.V. (BE) 2013-11-05 US disclosed
EP-2630139-A1 AMINO-PYRROLIDINE-AZETIDINE DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS Janssen Pharmaceutica, N.V. (BE) 2013-08-28 EP disclosed
US-20130196970-A1 AMINO-PYRROLIDINE-AZETIDINE DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA, NV (BE) 2013-08-01 US disclosed
US-20120101081-A1 AMINO-PYRROLIDINE-AZETIDINE DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA, NV (BE) 2012-04-26 US disclosed
WO-2012054721-A1 AMINO-PYRROLIDINE-AZETIDINE DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICAL NV (BE) 2012-04-26 WO 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 (2 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-20130196970-A1 AMINO-PYRROLIDINE-AZETIDINE DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS PNLIP, LPL, MGLL MGLL 3/4885RIPK1 4635/4885KDM1A 626/4885
US-20120101081-A1 AMINO-PYRROLIDINE-AZETIDINE DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS PNLIP, LPL, MGLL MGLL 3/4885RIPK1 4635/4885KDM1A 626/4885

“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.