SCHEMBL3271883

SCHEMBL3271883

CC(C)(C)OC(=O)N1CC[C@@H](CNCc2ccc3c(n2)NC(=O)CO3)C1

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 14/20 0.44
IDO1 P14902 1/20 0.43
TDO2 P48775 1/20 0.43
MGLL Q99685 1/20 0.42
NAMPT P43490 1/20 0.40
KCNQ1 P51787 1/20 0.40
CACNA1C Q13936 1/20 0.40

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
SCHEMBL14942214 0.83 KCNH2 (0.52) KCNH2
SCHEMBL16469624 0.83 KCNH2 (0.52) KCNH2
SCHEMBL3277863 0.83 IDO1 (0.41) IDO1TDO2
SCHEMBL17987566 0.78 KCNH2 (0.41) KCNH2KCNQ1CACNA1C
SCHEMBL16212966 0.77 KDM4E (0.45) NAMPT
SCHEMBL17970284 0.77 KCNH2 (0.46) KCNH2
SCHEMBL17987562 0.75 PCSK9 (0.41) KCNH2
SCHEMBL17707793 0.75 KCNH2 (0.49) KCNH2
SCHEMBL14942000 0.75 KCNH2 (0.49) KCNH2
SCHEMBL14942003 0.75 KCNH2 (0.49) KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7691850-B2 Antibacterial agents GLAXO GROUP LIMITED (GB) 2010-04-06 US disclosed
US-20070287701-A1 6-({[(1-{2-[6-(methyloxy)-1,5-naphthyridin-4-yl]ethyl}-3-pyrrolidinyl)methyl]amino}methyl)-2H-pyrido[3,2-b][1,4]thiazin-3(4H)-one; bacterial infections; antibiotic resistance; Staphylococcus aureus, Streptococcus pneumoniae and pyogenes, Enterococcus; Haemophilus influenzae, Moraxella catarrhalis, E-coli SMITHKLINE BEECHAM CORPORATION 2007-12-13 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 (1 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-20070287701-A1 6-({[(1-{2-[6-(methyloxy)-1,5-naphthyridin-4-yl]ethyl}-3-pyrrolidinyl)methyl]amino}methyl)-2H-pyrido[3,2-b][1,4]thiazin-3(4H)-one; bacterial infections; antibiotic resistance; Staphylococcus aureus, Streptococcus pneumoniae and pyogenes, Enterococcus; Haemophilus influenzae, Moraxella catarrhalis, E-coli NPM1, TOP1, HMGB1 KCNH2 3440/4885IDO1 118/4885TDO2 49/4885

“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.