SCHEMBL3619895

SCHEMBL3619895

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

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC6A1 P30531 2/20 0.39
GABRA5 P31644 2/20 0.39
GABRB2 P47870 2/20 0.39
SLC6A12 P48065 2/20 0.39
SLC6A11 P48066 2/20 0.39
SLC6A13 Q9NSD5 2/20 0.39
GABRA1 P14867 1/20 0.39
GABRR1 P24046 1/20 0.39
GABRA4 P48169 1/20 0.39
GBA1 P04062 6/20 0.36
CYP2D6 P10635 1/20 0.35
SLC6A2 P23975 3/20 0.33
SLC6A4 P31645 2/20 0.33
PYGL P06737 1/20 0.33
GBA2 Q9HCG7 1/20 0.33
FUCA1 P04066 1/20 0.33
GAA P10253 1/20 0.33
GLB1 P16278 1/20 0.33

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
SCHEMBL3619899 1.00 SLC6A1 (0.39) SLC6A1GABRA5GABRB2SLC6A12SLC6A11
SCHEMBL3619898 1.00 SLC6A1 (0.39) SLC6A1GABRA5GABRB2SLC6A12SLC6A11
SCHEMBL20660344 0.86 SLC6A1 (0.39) SLC6A1GABRA5GABRB2SLC6A12SLC6A11
SCHEMBL22389582 0.86 SLC6A1 (0.39) SLC6A1GABRA5GABRB2SLC6A12SLC6A11
SCHEMBL20660346 0.86 SLC6A1 (0.39) SLC6A1GABRA5GABRB2SLC6A12SLC6A11
SCHEMBL22389581 0.86 SLC6A1 (0.39) SLC6A1GABRA5GABRB2SLC6A12SLC6A11
SCHEMBL3233892 0.85 GBA1 (0.43) GBA1PYGLGBA2FUCA1GAA
SCHEMBL3279547 0.85 GBA1 (0.43) GBA1PYGLGBA2FUCA1GAA
SCHEMBL3278567 0.85 GBA1 (0.43) GBA1PYGLGBA2FUCA1GAA
SCHEMBL3279555 0.85 GBA1 (0.43) GBA1PYGLGBA2FUCA1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8071592-B2 Derivatives and analogs of N-ethylquinolones and N-ethylazaquinolones GLAXO GROUP LIMITED (GB) 2011-12-06 US disclosed
US-20100087424-A1 TRICYCLIC NITROGEN CONTAINING HETEROCYCLES AS ANTIBACTERIAL AGENTS GLAXO GROUP LIMITED 2010-04-08 US disclosed
US-20090270374-A1 DERIVATIVES AND ANALOGS OF N-ETHYLQUINOLONES AND N-ETHYLAZAQUINOLONES GLAXO GROUP LIMITED (GB) 2009-10-29 US disclosed
EP-2044077-A1 DERIVATIVES AND ANALOGS OF N-ETHYLQUINOLONES AND N-ETHYLAZAQUINOLONES Glaxo Group Limited (GB) 2009-04-08 EP disclosed
EP-1992628-A1 Derivatives and analogs of N-ethylquinolones and N-ethylazaquinolones GLAXO GROUP LIMITED (GB) 2008-11-19 EP disclosed
WO-2008009700-A1 DERIVATIVES AND ANALOGS OF N-ETHYLQUINOLONES AND N-ETHYLAZAQUINOLONES GLAXO GROUP LIMITED (GB) 2008-01-24 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 (2 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-20100087424-A1 TRICYCLIC NITROGEN CONTAINING HETEROCYCLES AS ANTIBACTERIAL AGENTS NRDC, NDC1, NANS SLC6A1 3947/4885GABRA5 4689/4885GABRB2 4274/4885
US-20090270374-A1 DERIVATIVES AND ANALOGS OF N-ETHYLQUINOLONES AND N-ETHYLAZAQUINOLONES ETFA, NQO2, GNAQ SLC6A1 3713/4885GABRA5 2296/4885GABRB2 2134/4885

“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.