SCHEMBL4863766

SCHEMBL4863766

CC(C)(C)OC(=O)N1CC(=O)c2ccccc2N1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.46
CCNB2 O95067 1/20 0.40
CDK1 P06493 1/20 0.40
CCNB1 P14635 1/20 0.40
GSK3B P49841 1/20 0.40
CCNB3 Q8WWL7 1/20 0.40
BRD4 O60885 2/20 0.39
CREBBP Q92793 2/20 0.39
PDK4 Q16654 1/20 0.38
NOTUM Q6P988 1/20 0.38
BUB1 O43683 1/20 0.38
BCHE P06276 1/20 0.38
PARP1 P09874 1/20 0.38
TNKS2 Q9H2K2 1/20 0.38
PARP2 Q9UGN5 1/20 0.38
GPR119 Q8TDV5 1/20 0.36
MAPK10 P53779 1/20 0.36
NR1H2 P55055 3/20 0.35
RXRA P19793 2/20 0.35
NR1H3 Q13133 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
SCHEMBL14425277 0.79 MAPK1 (0.40) MAPK1CCNB2CDK1CCNB1GSK3B
SCHEMBL5317544 0.77 NOTUM (0.41) MAPK1NOTUM
SCHEMBL4863074 0.77 MAPK1 (0.39) MAPK1CCNB2CDK1CCNB1GSK3B
SCHEMBL14196714 0.77 MAPK1 (0.39) MAPK1CCNB2CDK1CCNB1GSK3B
SCHEMBL4856100 0.76 MAPK1 (0.38) MAPK1CCNB2CDK1CCNB1GSK3B
SCHEMBL4860414 0.75 MAPK1 (0.38) MAPK1CCNB2CDK1CCNB1GSK3B
SCHEMBL14196720 0.75 MAPK1 (0.38) MAPK1CCNB2CDK1CCNB1GSK3B
SCHEMBL30667212 0.72 NOTUM (0.64) MAPK1PDK4NOTUMBUB1BCHE
SCHEMBL7004709 0.72 NOTUM (0.64) MAPK1PDK4NOTUMBUB1BCHE
SCHEMBL29813840 0.71 MAPK1 (0.54) MAPK1PDK4NOTUMGPR119NR1H2

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
US-7365071-B2 Heterocyclic compounds, preparation process and intermediates, and use as medicaments, in particular as β-lactamase inhibitors and antibacterials AVENTIS PHARMA S.A. (FR) 2008-04-29 US disclosed
US-7365071-B2 Heterocyclic compounds, preparation process and intermediates, and use as medicaments, in particular as β-lactamase inhibitors and antibacterials AVENTIS PHARMA S.A. (FR) 2008-04-29 US disclosed
US-7365071-B2 Heterocyclic compounds, preparation process and intermediates, and use as medicaments, in particular as β-lactamase inhibitors and antibacterials AVENTIS PHARMA S.A. (FR) 2008-04-29 US disclosed
US-20070191312-A1 NOVEL HETEROCYCLIC COMPOUNDS, PREPARATION PROCESS AND INTERMEDIATES, AND USE AS MEDICAMENTS, IN PARTICULAR AS BETA-LACTAMASE INHIBITORS AND ANTIBACTERIALS MUSICKI BRANISLAV 2007-08-16 US disclosed
US-20070191312-A1 NOVEL HETEROCYCLIC COMPOUNDS, PREPARATION PROCESS AND INTERMEDIATES, AND USE AS MEDICAMENTS, IN PARTICULAR AS BETA-LACTAMASE INHIBITORS AND ANTIBACTERIALS MUSICKI BRANISLAV 2007-08-16 US disclosed
US-20040097490-A1 Novel heterocyclic compounds, preparation process and intermediates, and use as medicaments, in particular as B-lactamase inhibitors and antibacterials AVENTIS PHARMA S.A. (FR) 2004-05-20 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-20040097490-A1 Novel heterocyclic compounds, preparation process and intermediates, and use as medicaments, in particular as B-lactamase inhibitors and antibacterials GAA, BBOX1, BPGM MAPK1 1623/4885CCNB2 1236/4885CDK1 976/4885
US-20070191312-A1 NOVEL HETEROCYCLIC COMPOUNDS, PREPARATION PROCESS AND INTERMEDIATES, AND USE AS MEDICAMENTS, IN PARTICULAR AS BETA-LACTAMASE INHIBITORS AND ANTIBACTERIALS GAA, PEPD, MGAM MAPK1 2427/4885CCNB2 1841/4885CDK1 1704/4885

“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.