SCHEMBL994263

SCHEMBL994263

O=C(O)CCC1CCN(Cc2ccccc2)CC1O

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
FUCA1 P04066 2/20 0.51
BCHE P06276 3/20 0.50
SLC18A3 Q16572 3/20 0.50
ACHE P22303 2/20 0.50
CHRM4 P08173 1/20 0.50
ALDH1A1 P00352 1/20 0.50
GBA1 P04062 1/20 0.48

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
SCHEMBL5767421 0.85 GBA1 (0.58) FUCA1BCHESLC18A3ACHECHRM4
SCHEMBL5767420 0.85 GBA1 (0.58) FUCA1BCHESLC18A3ACHECHRM4
SCHEMBL5767414 0.85 GBA1 (0.58) FUCA1BCHESLC18A3ACHECHRM4
SCHEMBL11178516 0.82 FUCA1 (0.53) FUCA1SLC18A3ALDH1A1GBA1
SCHEMBL9684004 0.82 ACHE (0.64) BCHEACHE
SCHEMBL1315584 0.81 GBA1 (0.66) FUCA1BCHESLC18A3ACHEALDH1A1
SCHEMBL505547 0.81 GBA1 (0.66) FUCA1BCHESLC18A3ACHEALDH1A1
SCHEMBL5999878 0.81 FUCA1 (0.58) FUCA1BCHESLC18A3ACHEALDH1A1
SCHEMBL5999883 0.81 FUCA1 (0.58) FUCA1BCHESLC18A3ACHEALDH1A1
SCHEMBL1315585 0.81 GBA1 (0.66) FUCA1BCHESLC18A3ACHEALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
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-7638529-B2 anti-bacterial agents; 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) 2009-12-29 US disclosed
US-7612087-B2 Therapy for bacteria infections NOVEXEL (FR) 2009-11-03 US disclosed
US-20090215747-A1 HETEROCYCLIC COMPOUNDS AS INHIBITORS OF BETA-LACTAMASES AVENTIS PHARMA S.A. (FR) 2009-08-27 US disclosed
US-20070299108-A1 New heterocyclic compounds, their preparation and their use as medicaments, in particular as anti-bacterial agents AVENTIS PHARMA S.A. 2007-12-27 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
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 (10 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 FUCA1 609/4885BCHE 13/4885SLC18A3 1412/4885
US-20110213147-A1 New heterocyclic compounds, their preparation and their use as medicaments, in particular as anti-bacterial agents NISCH, DDC, SDHA FUCA1 2100/4885BCHE 2258/4885SLC18A3 4799/4885
US-20100048528-A1 HETEROCYCLIC COMPOUNDS AS INHIBITORS OF BETA-LACTAMASES BACE1, GAA, CEL FUCA1 609/4885BCHE 13/4885SLC18A3 1412/4885
US-20070299108-A1 New heterocyclic compounds, their preparation and their use as medicaments, in particular as anti-bacterial agents NISCH, DDC, SDHA FUCA1 2100/4885BCHE 2258/4885SLC18A3 4799/4885
US-20060046995-A1 Heterocyclic compounds, their preparation and their use as medicaments, in particular as anti-bacterial agents NISCH, SDHB, SDHA FUCA1 1537/4885BCHE 1971/4885SLC18A3 4841/4885
US-20060189652-A1 New heterocyclic compounds, their preparation and their use as medicaments, in particular as anti-bacterial agents NISCH, DDC, SDHA FUCA1 2100/4885BCHE 2258/4885SLC18A3 4799/4885
US-20050020572-A1 Heterocyclic compounds as inhibitors of beta-lactamases BACE1, GAA, CEL FUCA1 609/4885BCHE 13/4885SLC18A3 1412/4885
US-20110021772-A1 New heterocyclic compounds, their preparation and their use as medicaments, in particular as anti-bacterial agents NISCH, DDC, SDHA FUCA1 2100/4885BCHE 2258/4885SLC18A3 4799/4885
US-20090215747-A1 HETEROCYCLIC COMPOUNDS AS INHIBITORS OF BETA-LACTAMASES BACE1, GAA, CEL FUCA1 609/4885BCHE 13/4885SLC18A3 1412/4885
US-20030199541-A1 Azabicyclic compounds, preparation thereof and use as medicines, in particular as antibacterial agents AZI2, NISCH, DCTPP1 FUCA1 1832/4885BCHE 2150/4885SLC18A3 4862/4885

“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.