Sugi Predict

Sugi Predict / Compounds / SCHEMBL994209

SCHEMBL994209

SCHEMBL994209

NC(=O)C[C@H]1CCNC[C@H]1O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC6A1 P30531 2/20 0.41
▸ GABRA5 P31644 2/20 0.41
▸ GABRB2 P47870 2/20 0.41
▸ SLC6A12 P48065 2/20 0.41
▸ SLC6A11 P48066 2/20 0.41
▸ SLC6A13 Q9NSD5 2/20 0.41
▸ GABRA1 P14867 1/20 0.41
▸ GABRR1 P24046 1/20 0.41
▸ GABRA4 P48169 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ ATM Q13315 1/20 0.37
▸ CYP2D6 P10635 1/20 0.37
▸ MAN1B1 Q9UKM7 1/20 0.32
▸ GBA1 P04062 4/20 0.31
▸ PYGL P06737 1/20 0.31
▸ GBA2 Q9HCG7 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ GLB1 P16278 1/20 0.31

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
SCHEMBL994208 1.00 SLC6A1 (0.41) SLC6A1GABRA5GABRB2SLC6A12SLC6A11
SCHEMBL994207 1.00 SLC6A1 (0.41) SLC6A1GABRA5GABRB2SLC6A12SLC6A11
SCHEMBL1251294 0.82 SLC6A11 (0.57) SLC6A1GABRA5GABRB2SLC6A12SLC6A11
SCHEMBL1249680 0.82 SLC6A11 (0.57) SLC6A1GABRA5GABRB2SLC6A12SLC6A11
SCHEMBL1249676 0.82 SLC6A11 (0.57) SLC6A1GABRA5GABRB2SLC6A12SLC6A11
SCHEMBL1251296 0.82 SLC6A11 (0.57) SLC6A1GABRA5GABRB2SLC6A12SLC6A11
SCHEMBL1249678 0.82 SLC6A11 (0.57) SLC6A1GABRA5GABRB2SLC6A12SLC6A11
SCHEMBL13483847 0.79 SLC6A1 (0.40) SLC6A1GABRA5GABRB2SLC6A12SLC6A11
SCHEMBL28775469 0.78 SLC6A1 (0.35) SLC6A1GABRA5GABRB2SLC6A12SLC6A11
SCHEMBL9000290 0.77 SLC6A1 (0.42) SLC6A1GABRA5GABRB2SLC6A12SLC6A11

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 24 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 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-20110021772-A1 New heterocyclic compounds, their preparation and their use as medicaments, in particular as anti-bacterial agents AVENTIS PHARMA S.A. 2011-01-27 — — US disclosed
EP-1480644-B1 NOVEL HETEROCYCLIC COMPOUNDS WHICH ARE ACTIVE AS INHIBITORS OF BETA+LACTAMASES NOVEXEL (FR) 2010-10-13 — — EP disclosed
US-7732610-B2 Heterocyclic compounds, their preparation and their use as medicaments, in particular as anti-bacterial agents AVENTIS PHARMA S.A. (FR) 2010-06-08 — — US disclosed
US-20100048528-A1 HETEROCYCLIC COMPOUNDS AS INHIBITORS OF BETA-LACTAMASES NOVEXEL (FR) 2010-02-25 — — US 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-1480644-A2 NOVEL HETEROCYCLIC COMPOUNDS WHICH ARE ACTIVE AS INHIBITORS OF BETA+LACTAMASES Aventis Pharma S.A. (FR) 2004-12-01 — — EP 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
WO-2003063864-A2 HETEROCYCLIC COMPOUNDS WHICH ARE ACTIVE AS INHIBITORS OF BETA LACTAMASES AVENTIS PHARMA S.A. (FR) 2003-08-07 — — WO disclosed
EP-1307457-A1 AZABICYCLIC COMPOUNDS, PREPARATION THEREOF AND USE AS MEDICINES, IN PARTICULAR AS ANTIBACTERIAL AGENTS Aventis Pharma S.A. (FR) 2003-05-07 — — EP disclosed
WO-2002010172-A1 AZABICYCLIC COMPOUNDS, PREPARATION THEREOF AND USE AS MEDICINES, IN PARTICULAR AS ANTIBACTERIAL AGENTS AVENTIS PHARMA SA (FR) 2002-02-07 — — 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 (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 SLC6A1 321/4885GABRA5 1646/4885GABRB2 1708/4885
US-20110213147-A1 New heterocyclic compounds, their preparation and their use as medicaments, in particular as anti-bacterial agents NISCH, DDC, SDHA SLC6A1 2390/4885GABRA5 1115/4885GABRB2 1712/4885
US-20100048528-A1 HETEROCYCLIC COMPOUNDS AS INHIBITORS OF BETA-LACTAMASES BACE1, GAA, CEL SLC6A1 321/4885GABRA5 1646/4885GABRB2 1708/4885
US-20060046995-A1 Heterocyclic compounds, their preparation and their use as medicaments, in particular as anti-bacterial agents NISCH, SDHB, SDHA SLC6A1 2459/4885GABRA5 1477/4885GABRB2 2195/4885
US-20060189652-A1 New heterocyclic compounds, their preparation and their use as medicaments, in particular as anti-bacterial agents NISCH, DDC, SDHA SLC6A1 2390/4885GABRA5 1115/4885GABRB2 1712/4885
US-20050020572-A1 Heterocyclic compounds as inhibitors of beta-lactamases BACE1, GAA, CEL SLC6A1 321/4885GABRA5 1646/4885GABRB2 1708/4885
US-20110021772-A1 New heterocyclic compounds, their preparation and their use as medicaments, in particular as anti-bacterial agents NISCH, DDC, SDHA SLC6A1 2390/4885GABRA5 1115/4885GABRB2 1712/4885
US-20030199541-A1 Azabicyclic compounds, preparation thereof and use as medicines, in particular as antibacterial agents AZI2, NISCH, DCTPP1 SLC6A1 1491/4885GABRA5 706/4885GABRB2 1220/4885

“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.