SCHEMBL996027

SCHEMBL996027

O=C(O)C1CCC2CN1C(=O)N2C(=O)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACE P12821 1/20 0.41
KMT2A Q03164 2/20 0.39
L3MBTL3 Q96JM7 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
ACHE P22303 1/20 0.38
ALDH1A1 P00352 3/20 0.38
CHRNB2 P17787 2/20 0.37
CHRNB4 P30926 2/20 0.37
CHRNA3 P32297 2/20 0.37
CHRNA7 P36544 2/20 0.37
CHRNA4 P43681 2/20 0.37
KDM4E B2RXH2 3/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
FFAR2 O15552 2/20 0.36
POLB P06746 1/20 0.36
ITGB1 P05556 1/20 0.36
ITGA5 P08648 1/20 0.36
GRM2 Q14416 1/20 0.36
LMNA P02545 1/20 0.36
EPHX1 P07099 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
SCHEMBL1250692 1.00 ACE (0.41) ACEKMT2AL3MBTL3L3MBTL1ACHE
SCHEMBL996029 1.00 ACE (0.41) ACEKMT2AL3MBTL3L3MBTL1ACHE
SCHEMBL996025 1.00 ACE (0.41) ACEKMT2AL3MBTL3L3MBTL1ACHE
SCHEMBL1248312 0.87 CHRNB2 (0.42) ACEKMT2AL3MBTL3L3MBTL1ALDH1A1
SCHEMBL1248309 0.87 CHRNB2 (0.42) ACEKMT2AL3MBTL3L3MBTL1ALDH1A1
SCHEMBL1248310 0.87 CHRNB2 (0.42) ACEKMT2AL3MBTL3L3MBTL1ALDH1A1
SCHEMBL994867 0.85 KMT2A (0.55) KMT2AALDH1A1POLB
SCHEMBL994869 0.85 KMT2A (0.55) KMT2AALDH1A1POLB
SCHEMBL994868 0.85 KMT2A (0.55) KMT2AALDH1A1POLB
SCHEMBL994733 0.81 XIAP (0.48) ALDH1A1SMN1; SMN2LMNA

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 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2279737-B1 Heterocyclic compounds that are active as beta lactamase inhibitors NOVEXEL (FR) 2012-10-31 EP claimed
US-20110245254-A1 HETEROCYCLIC COMPOUNDS AS INHIBITORS OF BETA-LACTAMASES FOREST LABORATORIES HOLDINGS LIMITED (BM) 2011-10-06 US claimed
EP-2279737-A1 Heterocyclic compounds that are active as beta lactamase inhibitors NOVEXEL (FR) 2011-02-02 EP claimed
EP-1480644-B1 NOVEL HETEROCYCLIC COMPOUNDS WHICH ARE ACTIVE AS INHIBITORS OF BETA+LACTAMASES NOVEXEL (FR) 2010-10-13 EP claimed
US-20100048528-A1 HETEROCYCLIC COMPOUNDS AS INHIBITORS OF BETA-LACTAMASES NOVEXEL (FR) 2010-02-25 US claimed
US-7612087-B2 Therapy for bacteria infections NOVEXEL (FR) 2009-11-03 US claimed
US-20090215747-A1 HETEROCYCLIC COMPOUNDS AS INHIBITORS OF BETA-LACTAMASES AVENTIS PHARMA S.A. (FR) 2009-08-27 US claimed
US-20050020572-A1 Heterocyclic compounds as inhibitors of beta-lactamases AVENTIS PHARMA S.A. (FR) 2005-01-27 US claimed
EP-2279737-B1 Heterocyclic compounds that are active as beta lactamase inhibitors NOVEXEL (FR) 2012-10-31 EP disclosed
US-8178554-B2 Heterocyclic compounds, their preparation and their use as medicaments, in particular as anti-bacterial agents ALLERGAN PHARMACEUTICALS INTERNATIONAL LIMITED (IE) 2012-05-15 US disclosed
US-8148540-B2 Heterocyclic compounds, their preparation and their use as medicaments, in particular as anti-bacterial agents ASTRAZENECA (SE) 2012-04-03 US disclosed
US-20110245254-A1 HETEROCYCLIC COMPOUNDS AS INHIBITORS OF BETA-LACTAMASES FOREST LABORATORIES HOLDINGS LIMITED (BM) 2011-10-06 US disclosed
US-20110213147-A1 New heterocyclic compounds, their preparation and their use as medicaments, in particular as anti-bacterial agents AVENTIS PHARMA S.A. 2011-09-01 US disclosed
EP-2279737-A1 Heterocyclic compounds that are active as beta lactamase inhibitors NOVEXEL (FR) 2011-02-02 EP disclosed
US-7112592-B2 topical bactericides and disinfectants for surgical instruments; staphylococci; coliform bacteria; 7-oxo-6-(sulphooxy)-1,6-diazabicyclo[3,2,1]octane-2-carboxamide; bridged bicyclic ureas or carbamates having bridgehead nitrogen AVENTIS PHARMA S.A. (FR) 2006-09-26 US disclosed
US-20060189652-A1 New heterocyclic compounds, their preparation and their use as medicaments, in particular as anti-bacterial agents AVENTIS PHARMA S.A. 2006-08-24 US disclosed
US-20060046995-A1 Heterocyclic compounds, their preparation and their use as medicaments, in particular as anti-bacterial agents AVENTIS PHARMA S.A. 2006-03-02 US disclosed
US-20050020572-A1 Heterocyclic compounds as inhibitors of beta-lactamases AVENTIS PHARMA S.A. (FR) 2005-01-27 US disclosed
EP-1307457-B1 AZABICYCLIC COMPOUNDS, PREPARATION THEREOF AND USE AS MEDICINES, IN PARTICULAR AS ANTIBACTERIAL AGENTS AVENTIS PHARMA SA (FR) 2004-04-07 EP disclosed
US-20030199541-A1 Azabicyclic compounds, preparation thereof and use as medicines, in particular as antibacterial agents ALLERGAN PHARMACEUTICALS INTERNATIONAL LIMITED (IE) 2003-10-23 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 (8 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-20110245254-A1 HETEROCYCLIC COMPOUNDS AS INHIBITORS OF BETA-LACTAMASES BACE1, GAA, CEL ACE 66/4885KMT2A 1623/4885L3MBTL3 2217/4885
US-20110213147-A1 New heterocyclic compounds, their preparation and their use as medicaments, in particular as anti-bacterial agents NISCH, DDC, SDHA ACE 203/4885KMT2A 3770/4885L3MBTL3 4853/4885
US-20100048528-A1 HETEROCYCLIC COMPOUNDS AS INHIBITORS OF BETA-LACTAMASES BACE1, GAA, CEL ACE 66/4885KMT2A 1623/4885L3MBTL3 2217/4885
US-20060046995-A1 Heterocyclic compounds, their preparation and their use as medicaments, in particular as anti-bacterial agents NISCH, SDHB, SDHA ACE 308/4885KMT2A 3705/4885L3MBTL3 4833/4885
US-20060189652-A1 New heterocyclic compounds, their preparation and their use as medicaments, in particular as anti-bacterial agents NISCH, DDC, SDHA ACE 203/4885KMT2A 3770/4885L3MBTL3 4853/4885
US-20050020572-A1 Heterocyclic compounds as inhibitors of beta-lactamases BACE1, GAA, CEL ACE 66/4885KMT2A 1623/4885L3MBTL3 2217/4885
US-20090215747-A1 HETEROCYCLIC COMPOUNDS AS INHIBITORS OF BETA-LACTAMASES BACE1, GAA, CEL ACE 66/4885KMT2A 1623/4885L3MBTL3 2217/4885
US-20030199541-A1 Azabicyclic compounds, preparation thereof and use as medicines, in particular as antibacterial agents AZI2, NISCH, DCTPP1 ACE 590/4885KMT2A 2738/4885L3MBTL3 4880/4885

“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.