SCHEMBL13382281

SCHEMBL13382281

CO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1CNC(=O)OCc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ABCB1 P08183 1/20 0.46
▸ NAMPT P43490 1/20 0.45
▸ MEN1 O00255 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ HTT P42858 1/20 0.44
▸ KDM4E B2RXH2 1/20 0.43
▸ PKM P14618 1/20 0.43
▸ SYK P43405 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ NPC1 O15118 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ PDE4B Q07343 1/20 0.41
▸ GPR119 Q8TDV5 1/20 0.41
▸ KLK7 P49862 1/20 0.41
▸ KLK5 Q9Y337 1/20 0.41
▸ STS P08842 1/20 0.41
▸ P2RX7 Q99572 1/20 0.41
▸ YAP1 P46937 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
SCHEMBL31566991 1.00 ABCB1 (0.46) ABCB1NAMPTMEN1KMT2AHTT
SCHEMBL3272843 0.89 NAMPT (0.47) ABCB1NAMPTMEN1KMT2AHTT
SCHEMBL3107581 0.89 NAMPT (0.47) ABCB1NAMPTMEN1KMT2AHTT
SCHEMBL18264040 0.89 NAMPT (0.47) ABCB1NAMPTMEN1KMT2AHTT
SCHEMBL3274653 0.89 NAMPT (0.47) ABCB1NAMPTMEN1KMT2AHTT
SCHEMBL3273815 0.89 NAMPT (0.47) ABCB1NAMPTMEN1KMT2AHTT
SCHEMBL20549158 0.88 ABCB1 (0.44) ABCB1NAMPTMEN1KMT2AHTT
SCHEMBL19063617 0.88 ABCB1 (0.44) ABCB1NAMPTMEN1KMT2AHTT
SCHEMBL3279114 0.87 USP30 (0.48) ABCB1NAMPTMEN1KMT2AHTT
SCHEMBL3277843 0.87 USP30 (0.48) ABCB1NAMPTMEN1KMT2AHTT

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 4 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-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-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 ABCB1 2888/4885NAMPT 340/4885MEN1 633/4885

“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.

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