SCHEMBL2131733

SCHEMBL2131733

O=C(c1ccc2nc(-c3ccccc3)sc2c1)N1CC(N[C@H]2CCN(C(=O)c3ccccc3)C2)C1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.54
SMN1; SMN2 Q16637 3/20 0.54
LMNA P02545 3/20 0.54
NFKB1 P19838 2/20 0.54
NFKB2 Q00653 2/20 0.54
RELA Q04206 2/20 0.54
MGLL Q99685 2/20 0.51
FASN P49327 1/20 0.47
HPGD P15428 5/20 0.46
MAPT P10636 3/20 0.46
ALDH1A1 P00352 3/20 0.46
GAA P10253 2/20 0.46
NPC1 O15118 1/20 0.46
MITF O75030 1/20 0.46
POLB P06746 1/20 0.46
RECQL P46063 1/20 0.46
RAB9A P51151 1/20 0.46
GFER P55789 1/20 0.46
PAX8 Q06710 1/20 0.46
KLF5 Q13887 1/20 0.46

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
SCHEMBL2131837 0.89 MGLL (0.50) KDM4ESMN1; SMN2LMNANFKB1NFKB2
SCHEMBL699388 0.81 MGLL (0.58) KDM4ESMN1; SMN2LMNANFKB1NFKB2
SCHEMBL2129559 0.80 EPHX1 (0.56) SMN1; SMN2LMNAMGLLFASNHPGD
SCHEMBL2722729 0.77 CA12 (0.51) SMN1; SMN2LMNAHPGDALDH1A1POLB
SCHEMBL2130422 0.77 CA12 (0.51) SMN1; SMN2LMNAHPGDALDH1A1POLB
SCHEMBL2137444 0.76 PTPN2 (0.43) SMN1; SMN2LMNAMGLLHPGDALDH1A1
SCHEMBL2133096 0.76 PTPN2 (0.43) SMN1; SMN2LMNAMGLLHPGDALDH1A1
SCHEMBL2134021 0.76 ABL1 (0.53) SMN1; SMN2MGLLHPGDALDH1A1NPC1
SCHEMBL2720810 0.75 DRD4 (0.45) SMN1; SMN2MGLLALDH1A1NPC1RAB9A
SCHEMBL2132224 0.75 DRD4 (0.45) SMN1; SMN2MGLLALDH1A1NPC1RAB9A

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 8 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
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

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 KDM4E 863/4885SMN1; SMN2 1754/4885LMNA 1887/4885
US-20120101081-A1 AMINO-PYRROLIDINE-AZETIDINE DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS PNLIP, LPL, MGLL KDM4E 863/4885SMN1; SMN2 1754/4885LMNA 1887/4885

“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.