SCHEMBL6017

SCHEMBL6017

CC(C)(C)C1[C@H](CN)CCN1C(=O)O

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GABRR1 P24046 4/20 0.34
GABRR2 P28476 1/20 0.34
LMNA P02545 3/20 0.33
PLG P00747 1/20 0.33
PLAT P00750 1/20 0.33
RIPK1 Q13546 2/20 0.33
DPP4 P27487 2/20 0.33
HTT P42858 1/20 0.32
CYP2C19 P33261 1/20 0.31
HSD17B10 Q99714 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
SCHEMBL2273461 1.00 GABRR1 (0.34) GABRR1GABRR2LMNAPLGPLAT
SCHEMBL6476 1.00 GABRR1 (0.34) GABRR1GABRR2LMNAPLGPLAT
SCHEMBL3102587 1.00 GABRR1 (0.34) GABRR1GABRR2LMNAPLGPLAT
SCHEMBL14678324 0.90 HSD17B10 (0.39) LMNARIPK1DPP4CYP2C19HSD17B10
SCHEMBL2386007 0.90 HSD17B10 (0.39) LMNARIPK1DPP4CYP2C19HSD17B10
SCHEMBL6102565 0.88 GABRR1 (0.32) GABRR1GABRR2LMNAPLGPLAT
SCHEMBL505509 0.88 GABRR1 (0.32) GABRR1GABRR2LMNAPLGPLAT
SCHEMBL8197140 0.88 GABRR1 (0.32) GABRR1GABRR2LMNAPLGPLAT
SCHEMBL860060 0.86 RIPK1 (0.33) LMNARIPK1CYP2C19HSD17B10
SCHEMBL344649 0.86 RIPK1 (0.33) LMNARIPK1CYP2C19HSD17B10

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-20130172384-A1 FATTY ACID SYNTHASE INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED 2013-07-04 US disclosed
US-20120295915-A1 AZABENZIMIDAZOLES AS FATTY ACID SYNTHASE INHIBITORS GLAXOSMITHKLINE LLC 2012-11-22 US 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-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
US-20050026944-A1 Thienopyridine and furopyridine kinase inhibitors ABBOTT LABORATORIES 2005-02-03 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 (5 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 GABRR1 4405/4885GABRR2 4572/4885LMNA 2029/4885
US-20120295915-A1 AZABENZIMIDAZOLES AS FATTY ACID SYNTHASE INHIBITORS FASN, FADS1, COASY GABRR1 717/4885GABRR2 802/4885LMNA 3267/4885
US-20050026944-A1 Thienopyridine and furopyridine kinase inhibitors ABL1, ERBB2, LCK GABRR1 2136/4885GABRR2 2007/4885LMNA 4652/4885
US-20100256124-A1 Substituted 1-Methyl-1H-Quinolin-2-Ones And 1-Methyl-1H-1,5-Naphthyridin-2-Ones As Antibacterials TOP1, TOP2A, NDC1 GABRR1 3851/4885GABRR2 4179/4885LMNA 1679/4885
US-20130172384-A1 FATTY ACID SYNTHASE INHIBITORS FASN, FADS1, FADS2 GABRR1 1940/4885GABRR2 2101/4885LMNA 3664/4885

“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.