SCHEMBL9113591

SCHEMBL9113591

O=COc1ccc(CN2C(=O)C=CC2=O)cc1

nearest known ligand 0.64

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 4/20 0.64
FAAH O00519 2/20 0.64
GSK3A P49840 3/20 0.64
GSK3B P49841 3/20 0.64
PTGS1 P23219 2/20 0.50
PTGS2 P35354 2/20 0.50
CMA1 P23946 1/20 0.44
KDM4E B2RXH2 1/20 0.41
HTT P42858 1/20 0.41
CASP3 P42574 1/20 0.39
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
KMT2A Q03164 1/20 0.36
CHRM5 P08912 2/20 0.35

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
SCHEMBL146412 0.80 MGLL (1.00) MGLLFAAHGSK3AGSK3BPTGS1
SCHEMBL3384174 0.78 GSK3A (1.00) MGLLFAAHGSK3AGSK3BCMA1
SCHEMBL13243308 0.76 MGLL (0.72) MGLLFAAHGSK3AGSK3BPTGS1
SCHEMBL6159600 0.75 MGLL (0.69) MGLLFAAHGSK3AGSK3BPTGS1
SCHEMBL8950019 0.74 MGLL (0.86) MGLLFAAHGSK3AGSK3BPTGS1
SCHEMBL21215698 0.74 MGLL (0.86) MGLLFAAHGSK3AGSK3BPTGS1
SCHEMBL7218376 0.72 MGLL (0.82) MGLLFAAHGSK3AGSK3BPTGS1
SCHEMBL13520165 0.72 HPGD (0.40) CMA1HTTALDH1A1MAPT
SCHEMBL32665550 0.72 MGLL (0.60) MGLLFAAHGSK3AGSK3BPTGS1
SCHEMBL9610843 0.71 MGLL (1.00) MGLLFAAHGSK3AGSK3BPTGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5475021-A Administering N-substituted succinimides VANDERBILT UNIVERSITY (US) 1995-12-12 US claimed
WO-1995015163-A1 NOVEL COMPOUNDS FOR INHIBITION OF CYCLOOXYGENASE ACTIVITY VANDERBILT UNIVERSITY (US) 1995-06-08 WO claimed
US-20150252019-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF CELGENE AVILOMICS RESEARCH, INC. 2015-09-10 US disclosed
US-9067929-B2 Heterocyclic compounds and uses thereof CELGENE AVILOMICS RESEARCH, INC. (US) 2015-06-30 US disclosed
US-20140073661-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF CELGENE AVILOMICS RESEARCH, INC. (US) 2014-03-13 US disclosed
US-8586600-B2 Heterocyclic compounds and uses thereof CELGENE AVILOMICS RESEARCH, INC. (US) 2013-11-19 US disclosed
US-20120238593-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF AVILA THERAPEUTICS, INC. (US) 2012-09-20 US disclosed
US-5475021-A Administering N-substituted succinimides VANDERBILT UNIVERSITY (US) 1995-12-12 US disclosed
WO-1995015163-A1 NOVEL COMPOUNDS FOR INHIBITION OF CYCLOOXYGENASE ACTIVITY VANDERBILT UNIVERSITY (US) 1995-06-08 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 (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-20150252019-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF ABCG2, CYP3A5, CYP3A43 MGLL 2503/4885FAAH 957/4885GSK3A 1561/4885
US-20140073661-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF ABCG2, CYP3A5, CYP3A43 MGLL 2503/4885FAAH 957/4885GSK3A 1561/4885
US-20120238593-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF ABCG2, CYP3A5, CYP3A43 MGLL 2503/4885FAAH 957/4885GSK3A 1561/4885

“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.