SCHEMBL2242364

SCHEMBL2242364

CC(C)(C)N(C(=O)O)[C@H]1CCNC[C@@H]1O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A1 P30531 4/20 0.34
SLC6A11 P48066 3/20 0.34
SLC6A13 Q9NSD5 3/20 0.34
GABRA5 P31644 3/20 0.34
GABRB2 P47870 3/20 0.34
SLC6A12 P48065 2/20 0.34
GABRA1 P14867 2/20 0.34
GABRA4 P48169 2/20 0.34
GABRR1 P24046 1/20 0.34
TSHR P16473 2/20 0.32
LMNA P02545 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
GABRP O00591 1/20 0.31
GABRD O14764 1/20 0.31
GABRB1 P18505 1/20 0.31
GABRG2 P18507 1/20 0.31
GABRB3 P28472 1/20 0.31
GABRA3 P34903 1/20 0.31
GABRA2 P47869 1/20 0.31
GABRE P78334 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
SCHEMBL2181109 1.00 SLC6A1 (0.34) SLC6A1SLC6A11SLC6A13GABRA5GABRB2
SCHEMBL2242371 1.00 SLC6A1 (0.34) SLC6A1SLC6A11SLC6A13GABRA5GABRB2
SCHEMBL2686885 1.00 SLC6A1 (0.34) SLC6A1SLC6A11SLC6A13GABRA5GABRB2
SCHEMBL2686886 1.00 SLC6A1 (0.34) SLC6A1SLC6A11SLC6A13GABRA5GABRB2
Carbamic Acid SCHEMBL4773709 0.95 SLC6A1 (0.32) SLC6A1SLC6A11SLC6A13GABRA5GABRB2
Carbamic Acid SCHEMBL4774905 0.95 SLC6A1 (0.32) SLC6A1SLC6A11SLC6A13GABRA5GABRB2
SCHEMBL16817909 0.88 SLC6A1 (0.33) SLC6A1SLC6A11SLC6A13GABRA5GABRB2
SCHEMBL16817902 0.88 SLC6A1 (0.33) SLC6A1SLC6A11SLC6A13GABRA5GABRB2
SCHEMBL2244738 0.88 SLC6A1 (0.33) SLC6A1SLC6A11SLC6A13GABRA5GABRB2
SCHEMBL16817867 0.88 SLC6A1 (0.33) SLC6A1SLC6A11SLC6A13GABRA5GABRB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2044077-B1 DERIVATIVES AND ANALOGS OF N-ETHYLQUINOLONES AND N-ETHYLAZAQUINOLONES GLAXO GROUP LTD (GB) 2016-10-05 EP disclosed
US-8318940-B2 Naphthyridin-2 (1 H)-one compounds useful as antibacterials GLAXO GROUP LIMITED (GB) 2012-11-27 US disclosed
US-20120115899-A1 NAPHTHYRIDIN-2 (1 H)-ONE COMPOUNDS USEFUL AS ANTIBACTERIALS GLAXO GROUP LIMITED (GB) 2012-05-10 US disclosed
US-20110319424-A1 NAPHTHYRIDIN-2(1H) -ONE COMPOUNDS USEFUL AS ANTIBACTERIALS GLAXO GROUP LIMITED (GB) 2011-12-29 US disclosed
US-8071592-B2 Derivatives and analogs of N-ethylquinolones and N-ethylazaquinolones GLAXO GROUP LIMITED (GB) 2011-12-06 US disclosed
US-20110201599-A1 CDK Modulators EXELIXIS, INC. (US) 2011-08-18 US disclosed
EP-2136807-B1 PYRROLO (3, 2, 1-IJ) QUINOLINE-4-ONE DERIVATIVES FOR TREATING TUBERCULOSIS GLAXO GROUP LTD (GB) 2010-11-03 EP disclosed
US-20100256124-A1 Substituted 1-Methyl-1H-Quinolin-2-Ones And 1-Methyl-1H-1,5-Naphthyridin-2-Ones As Antibacterials GLAXO GROUP LIMITED (GB) 2010-10-07 US disclosed
US-20100184751-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS BALLELL-PAGES LLUIS 2010-07-22 US disclosed
US-7732460-B2 Heterocyclic compounds, their preparation and their use as antibacterials GLAXO GROUP LIMITED (GB) 2010-06-08 US disclosed
US-20090137568-A1 Tryclic Nitrogen Containing Compounds and their Use as Antibacterials GLAXO GROUP LIMITED 2009-05-28 US disclosed
US-20090036433-A1 Heterocyclic Compounds, their Preparation and their Use as Antibacterials GLAXO GROUP LIMITED (GB) 2009-02-05 US disclosed
EP-2005995-A1 Heterocyclic compounds for the treatment of tuberculosis GLAXO GROUP LIMITED (GB) 2008-12-24 EP disclosed
US-20080280892-A1 Compounds GLAXO GROUP LIMITED (GB) 2008-11-13 US disclosed
EP-1980251-A1 Pyrrolo[3,2,1-ij]quinoline-4-one derivatives for treating tuberculosis GLAXO GROUP LIMITED (GB) 2008-10-15 EP disclosed
US-20080221110-A1 Compounds GLAXO GROUP LIMITED (GB) 2008-09-11 US disclosed
US-20070185153-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2007-08-09 US disclosed
EP-1578743-A4 ANTIBACTERIAL AGENTS GLAXO GROUP LTD (GB) 2006-11-29 EP disclosed
EP-1578743-A2 ANTIBACTERIAL AGENTS GLAXO GROUP LIMITED (GB) 2005-09-28 EP disclosed
WO-2004058144-A2 ANTIBACTERIAL AGENTS GLAXO GROUP LIMITED (GB) 2004-07-15 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 (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-20110319424-A1 NAPHTHYRIDIN-2(1H) -ONE COMPOUNDS USEFUL AS ANTIBACTERIALS RIF1, MRPL21, NAT1 SLC6A1 4874/4885SLC6A11 4883/4885SLC6A13 4880/4885
US-20120115899-A1 NAPHTHYRIDIN-2 (1 H)-ONE COMPOUNDS USEFUL AS ANTIBACTERIALS NAT1, RIF1, MRPL21 SLC6A1 4866/4885SLC6A11 4876/4885SLC6A13 4875/4885
US-20090137568-A1 Tryclic Nitrogen Containing Compounds and their Use as Antibacterials NRDC, NACA, ASNS SLC6A1 833/4885SLC6A11 721/4885SLC6A13 737/4885
US-20070185153-A1 COMPOUNDS NRDC, NISCH, MRPL21 SLC6A1 3512/4885SLC6A11 3370/4885SLC6A13 3472/4885
US-20080221110-A1 Compounds NRDC, NISCH, MRPL21 SLC6A1 3512/4885SLC6A11 3370/4885SLC6A13 3472/4885
US-20100256124-A1 Substituted 1-Methyl-1H-Quinolin-2-Ones And 1-Methyl-1H-1,5-Naphthyridin-2-Ones As Antibacterials TOP1, TOP2A, NDC1 SLC6A1 4274/4885SLC6A11 4726/4885SLC6A13 4712/4885
US-20110201599-A1 CDK Modulators CDK3, CDK1, CDKL1 SLC6A1 3525/4885SLC6A11 3284/4885SLC6A13 4064/4885
US-20100184751-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS SDHA, SDHB, NNT SLC6A1 3638/4885SLC6A11 3172/4885SLC6A13 3359/4885
US-20080280892-A1 Compounds NRDC, NACA, NAA50 SLC6A1 3327/4885SLC6A11 2876/4885SLC6A13 3033/4885
US-20090036433-A1 Heterocyclic Compounds, their Preparation and their Use as Antibacterials MRPL21, NACA, NISCH SLC6A1 3552/4885SLC6A11 3252/4885SLC6A13 3223/4885

“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.