SCHEMBL993500

SCHEMBL993500

C=CCON[C@H]1CN[C@H](C(=O)OCc2ccccc2)C1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.41
BACE1 P56817 1/20 0.39
DPP8 Q6V1X1 2/20 0.39
DPP9 Q86TI2 2/20 0.39
DPP7 Q9UHL4 2/20 0.39
TGM2 P21980 1/20 0.37
ALDH1A1 P00352 2/20 0.37
DPP4 P27487 1/20 0.36
HTR2C P28335 1/20 0.36
GAA P10253 1/20 0.36
FABP7 O15540 1/20 0.36
FABP5 Q01469 1/20 0.36

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
SCHEMBL993502 1.00 TSHR (0.41) TSHRBACE1DPP8DPP9DPP7
SCHEMBL993504 1.00 TSHR (0.41) TSHRBACE1DPP8DPP9DPP7
SCHEMBL15107121 0.91 DPP8 (0.41) TSHRBACE1DPP8DPP9DPP7
SCHEMBL994689 0.90 TSHR (0.43) TSHRBACE1TGM2ALDH1A1HTR2C
SCHEMBL994687 0.90 TSHR (0.43) TSHRBACE1TGM2ALDH1A1HTR2C
SCHEMBL994688 0.90 TSHR (0.43) TSHRBACE1TGM2ALDH1A1HTR2C
SCHEMBL2518933 0.84 DPP8 (0.41) TSHRBACE1DPP8DPP9DPP7
Hydrochloric Acid SCHEMBL5678584 0.83 TSHR (0.41) TSHRBACE1DPP8DPP9DPP7
Hydrochloric Acid SCHEMBL5678592 0.83 TSHR (0.41) TSHRBACE1DPP8DPP9DPP7
Hydrochloric Acid SCHEMBL5678582 0.83 TSHR (0.41) TSHRBACE1DPP8DPP9DPP7

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 11 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-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-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-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-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 (6 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-20110213147-A1 New heterocyclic compounds, their preparation and their use as medicaments, in particular as anti-bacterial agents NISCH, DDC, SDHA TSHR 4671/4885BACE1 3793/4885DPP8 1721/4885
US-20070299108-A1 New heterocyclic compounds, their preparation and their use as medicaments, in particular as anti-bacterial agents NISCH, DDC, SDHA TSHR 4671/4885BACE1 3793/4885DPP8 1721/4885
US-20060046995-A1 Heterocyclic compounds, their preparation and their use as medicaments, in particular as anti-bacterial agents NISCH, SDHB, SDHA TSHR 4642/4885BACE1 3436/4885DPP8 2186/4885
US-20060189652-A1 New heterocyclic compounds, their preparation and their use as medicaments, in particular as anti-bacterial agents NISCH, DDC, SDHA TSHR 4671/4885BACE1 3793/4885DPP8 1721/4885
US-20110021772-A1 New heterocyclic compounds, their preparation and their use as medicaments, in particular as anti-bacterial agents NISCH, DDC, SDHA TSHR 4671/4885BACE1 3793/4885DPP8 1721/4885
US-20030199541-A1 Azabicyclic compounds, preparation thereof and use as medicines, in particular as antibacterial agents AZI2, NISCH, DCTPP1 TSHR 4260/4885BACE1 3800/4885DPP8 2021/4885

“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.