SCHEMBL2746323

SCHEMBL2746323

CN(CCO)C(=O)C(N)C(C)(C)C

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 8/20 0.58
CHRNB2 P17787 1/20 0.35
CHRNB4 P30926 1/20 0.35
CHRNA3 P32297 1/20 0.35
CHRNA4 P43681 1/20 0.35
KDM4E B2RXH2 1/20 0.33
ATM Q13315 1/20 0.33
MAPT P10636 2/20 0.32
ALDH1A1 P00352 1/20 0.30
PTGS1 P23219 1/20 0.30

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
SCHEMBL2746913 0.82 DPP4 (0.53) DPP4MAPTALDH1A1PTGS1
SCHEMBL4122458 0.79 DPP4 (0.53) DPP4KDM4EATM
SCHEMBL14679301 0.78 CHRNB2 (0.40) DPP4CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL2745900 0.78 DPP4 (0.56) DPP4CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL4120731 0.77 DPP4 (0.62) DPP4ALDH1A1
SCHEMBL27489698 0.77 CHRNB2 (0.42) DPP4CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL34463642 0.77 CHRNB2 (0.42) DPP4CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL5513768 0.76 CHRNB2 (0.39) DPP4CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL21570251 0.76 DPP4 (0.58) DPP4MAPTALDH1A1PTGS1
SCHEMBL21086856 0.76 DPP4 (0.58) DPP4MAPTALDH1A1PTGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8367666-B2 3-carbamoyl-2-pyridone derivatives SHIONOGI & CO., LTD. (JP) 2013-02-05 US disclosed
US-20120208813-A1 3-CARBAMOYL-2-PYRIDONE DERIVATIVES SHIONOGI & CO., LTD. 2012-08-16 US disclosed
US-8178681-B2 methyl 3-methyl-2-{[2-oxo-1-(2-oxo-ethyl)-1,2,5,6,7,8,9,10-octahydro-cycloocta[b]pyridine-3-carbonyl]-amino}-butyrate; cannabinoid receptor agonist; antiinflammatory agent, immunostimulant, analgesic; atopic dermatitis; excellent in photostability, and have excellent transdermal and oral absorbency SHIONOGI & CO., LTD. (JP) 2012-05-15 US disclosed
US-20080103139-A1 3-Carbamoyl-2-Pyridone Derivative SHIONOGI & CO. LTD. (JP) 2008-05-01 US disclosed
US-7323448-B2 Antibacterial agents BRITISH BIOTECH PHARMACEUTICALS LTD. (GB) 2008-01-29 US disclosed
EP-1806342-A1 3-CARBAMOYL-2-PYRIDONE DERIVATIVE SHIONOGI & CO., LTD. (JP) 2007-07-11 EP disclosed
US-20060276409-A1 Antibacterial agents BRITISH BIOTECH PHARMACEUTICALS LTD. (GB) 2006-12-07 US disclosed
US-6787522-B2 BACTERIAL POLYPEPTIDE DEFORMYLASE (PDF) INHIBITORS, N-FORMYL HYDROXYLAMINE DERIVATIVES BRITISH BIOTECH PHARMACEUTICALS (GB) 2004-09-07 US disclosed
EP-1052984-B1 ANTIBACTERIAL AGENTS VERNALIS OXFORD LTD (GB) 2004-05-12 EP disclosed
US-20020165167-A1 Antibacterial agents BRITISH BIOTECH PHARMACEUTICALS LTD. (GB) 2002-11-07 US disclosed
US-6423690-B1 Antibacterial agents BRITISH BIOTECH PHARMACEUTICALS LTD. (GB) 2002-07-23 US disclosed
EP-1052984-A1 ANTIBACTERIAL AGENTS BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 2000-11-22 EP disclosed
WO-1999039704-A1 ANTIBACTERIAL AGENTS BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 1999-08-12 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 (4 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-20120208813-A1 3-CARBAMOYL-2-PYRIDONE DERIVATIVES CNR2, CNR1, HRH4 DPP4 2434/4885CHRNB2 440/4885CHRNB4 456/4885
US-20060276409-A1 Antibacterial agents CBR3, CBR1, SIGMAR1 DPP4 2958/4885CHRNB2 2616/4885CHRNB4 2096/4885
US-20080103139-A1 3-Carbamoyl-2-Pyridone Derivative CNR1, CNR2, HRH4 DPP4 3743/4885CHRNB2 474/4885CHRNB4 495/4885
US-20020165167-A1 Antibacterial agents CBR1, CBR3, SIGMAR1 DPP4 2365/4885CHRNB2 2951/4885CHRNB4 2885/4885

“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.