SCHEMBL2392461

SCHEMBL2392461

CC(C)(C)OC(=O)N1C=CC=C(N)C1O

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.34
CHRM1 P11229 1/20 0.34
CHRM3 P20309 1/20 0.34
GPR119 Q8TDV5 6/20 0.33
NR1H2 P55055 1/20 0.33
BCHE P06276 1/20 0.32
DPP4 P27487 1/20 0.31
KMT2A Q03164 2/20 0.31
MEN1 O00255 1/20 0.31
USP30 Q70CQ3 1/20 0.30
KDM4E B2RXH2 2/20 0.30
PKM P14618 1/20 0.30
KDM1A O60341 1/20 0.30
MAPT P10636 1/20 0.30
THRB P10828 1/20 0.30
PTPN2 P17706 1/20 0.30
PTPN1 P18031 1/20 0.30
PTPN6 P29350 1/20 0.30

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
SCHEMBL3243883 0.84 GPR119 (0.33) CHRM2CHRM1CHRM3GPR119NR1H2
SCHEMBL31544790 0.83 GPR119 (0.33) CHRM2CHRM1CHRM3GPR119NR1H2
SCHEMBL29169857 0.81 PDE4B (0.36) GPR119NR1H2BCHEKMT2AUSP30
SCHEMBL30896825 0.80 CA12 (0.31) GPR119NR1H2
SCHEMBL2260256 0.77 DPP4 (0.35) CHRM2CHRM1CHRM3GPR119BCHE
SCHEMBL28428311 0.71 CHRM2 (0.39) CHRM2CHRM1CHRM3GPR119NR1H2
SCHEMBL19892750 0.70 CHRM2 (0.34) CHRM2CHRM1CHRM3GPR119NR1H2
SCHEMBL28107442 0.68 USP2 (0.37) CHRM2CHRM1CHRM3GPR119NR1H2
SCHEMBL7382661 0.68 NR1H2 (0.38) NR1H2
SCHEMBL29075997 0.68 MEN1 (0.34) GPR119NR1H2KMT2AMEN1USP30

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105218632-A As peptide or plan peptide, the Preparation Method And The Use of transglutaminase inhibitor ZEDIRA GMBH 2016-01-06 CN disclosed
EP-2086993-B1 MICHAEL SYSTEMS AS TRANSGLUTAMINASE INHIBITORS ZEDIRA GMBH (DE) 2015-03-11 EP disclosed
US-8471063-B2 Michael systems as transglutaminase inhibitors ZEDIRA GMBH (DE) 2013-06-25 US disclosed
US-20110229568-A1 MICHAEL SYSTEMS AS TRANSGLUTAMINASE INHIBITORS ZEDIRA GMBH (DE) 2011-09-22 US disclosed
CN-101563359-A Michael systems as transglutaminase inhibitors ZEDIRA GMBH (DE) 2009-10-21 CN disclosed
EP-2086993-A1 MICHAEL SYSTEMS AS TRANSGLUTAMINASE INHIBITORS Zedira GmbH (DE) 2009-08-12 EP disclosed
WO-2008055488-A1 MICHAEL SYSTEMS AS TRANSGLUTAMINASE INHIBITORS ZEDIRA GMBH (DE) 2008-05-15 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 (1 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-20110229568-A1 MICHAEL SYSTEMS AS TRANSGLUTAMINASE INHIBITORS TGM2, TGM3, TGM1 CHRM2 4639/4885CHRM1 4403/4885CHRM3 4763/4885

“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.