SCHEMBL4862019

SCHEMBL4862019

CC(C)(C)OC(=O)N1CC(NOCc2ccccc2)c2ccccc2N1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
STS P08842 1/20 0.37
MAPT P10636 2/20 0.36
PARP1 P09874 1/20 0.36
JAK2 O60674 1/20 0.36
JAK1 P23458 1/20 0.36
GPR119 Q8TDV5 1/20 0.36
CTSL P07711 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
GHSR Q92847 1/20 0.35
MAPK1 P28482 2/20 0.35
ALDH1A1 P00352 1/20 0.35
POLB P06746 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
KDM4E B2RXH2 1/20 0.35
PKM P14618 1/20 0.35
NAMPT P43490 1/20 0.35
IDO1 P14902 1/20 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
SCHEMBL5318595 0.86 NPC1 (0.37) MAPTMAPK1ALDH1A1IDO1
SCHEMBL4860975 0.84 MAPK1 (0.34) STSMAPTMAPK1KDM4EPKM
SCHEMBL4862831 0.81 TDP1 (0.34) MAPK1NPSR1KDM4EPKMNAMPT
SCHEMBL22030527 0.73 PARP1 (0.40) MEN1KMT2ASTSMAPTPARP1
SCHEMBL16187271 0.69 GPR119 (0.42) KMT2ASTSPARP1JAK2JAK1
SCHEMBL994681 0.69 USP30 (0.60) STSPARP1JAK2JAK1GPR119
SCHEMBL18655393 0.69 USP30 (0.60) STSPARP1JAK2JAK1GPR119
SCHEMBL994668 0.69 STS (0.43) MEN1KMT2ASTSJAK2JAK1
SCHEMBL4856100 0.68 MAPK1 (0.38) MEN1KMT2ASTSJAK2JAK1
SCHEMBL14746164 0.68 KLK7 (0.43) MEN1KMT2ASTSPARP1JAK2

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 MEN1 610/4885KMT2A 2560/4885STS 74/4885
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 MEN1 795/4885KMT2A 2634/4885STS 59/4885

“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.