SCHEMBL996831

SCHEMBL996831

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

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
FKBP1A P62942 9/20 0.43
FAAH O00519 3/20 0.40
AGTR2 P50052 1/20 0.37
NAMPT P43490 1/20 0.36
CHRM1 P11229 1/20 0.36
MGLL Q99685 2/20 0.36
MMP2 P08253 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
SCHEMBL996836 1.00 FKBP1A (0.43) FKBP1AFAAHAGTR2NAMPTCHRM1
SCHEMBL996833 1.00 FKBP1A (0.43) FKBP1AFAAHAGTR2NAMPTCHRM1
SCHEMBL994256 0.85 FKBP1A (0.41) FKBP1AFAAHMMP2
SCHEMBL994257 0.85 FKBP1A (0.41) FKBP1AFAAHMMP2
SCHEMBL994259 0.85 FKBP1A (0.41) FKBP1AFAAHMMP2
SCHEMBL1248542 0.81 ALDH1A1 (0.34) AGTR2CHRM1MMP2
SCHEMBL1248545 0.81 ALDH1A1 (0.34) AGTR2CHRM1MMP2
SCHEMBL1248544 0.81 ALDH1A1 (0.34) AGTR2CHRM1MMP2
SCHEMBL2518933 0.78 DPP8 (0.41) FAAHCHRM1
Hydrochloric Acid SCHEMBL5678582 0.77 TSHR (0.41) FAAHCHRM1

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 7 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-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-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 (4 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 FKBP1A 1382/4885FAAH 1288/4885AGTR2 2042/4885
US-20070299108-A1 New heterocyclic compounds, their preparation and their use as medicaments, in particular as anti-bacterial agents NISCH, DDC, SDHA FKBP1A 1382/4885FAAH 1288/4885AGTR2 2042/4885
US-20110021772-A1 New heterocyclic compounds, their preparation and their use as medicaments, in particular as anti-bacterial agents NISCH, DDC, SDHA FKBP1A 1382/4885FAAH 1288/4885AGTR2 2042/4885
US-20030199541-A1 Azabicyclic compounds, preparation thereof and use as medicines, in particular as antibacterial agents AZI2, NISCH, DCTPP1 FKBP1A 979/4885FAAH 2982/4885AGTR2 3325/4885

“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.