SCHEMBL2745501

SCHEMBL2745501

CCCCNC(=O)C1CCCN(C(=O)[C](C)C(N)=O)C1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.50
NAAA Q02083 1/20 0.50
GAA P10253 1/20 0.48
ITGB3 P05106 7/20 0.46
ITGA2B P08514 7/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
BCHE P06276 1/20 0.45
MAPK1 P28482 2/20 0.45
ALDH1A1 P00352 1/20 0.45
TSHR P16473 1/20 0.45

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
SCHEMBL2747482 0.88 LMNA (0.46) LMNAITGB3ITGA2BMAPK1ALDH1A1
SCHEMBL2745504 0.81 NAAA (0.51) LMNANAAAGAAITGB3ITGA2B
SCHEMBL2746847 0.79 ITGB3 (0.52) LMNANAAAITGB3ITGA2BMAPK1
SCHEMBL30919787 0.78 MEN1 (0.55) LMNANAAAGAAITGB3ITGA2B
SCHEMBL2746849 0.78 NAAA (0.57) LMNANAAAGAAITGB3ITGA2B
SCHEMBL2746554 0.77 ALDH1A1 (0.54) LMNAGAABCHEMAPK1ALDH1A1
SCHEMBL14400225 0.76 BCHE (0.57) LMNANAAAGAAITGB3ITGA2B
SCHEMBL2746603 0.76 ITGB3 (0.51) LMNAITGB3ITGA2BMAPK1ALDH1A1
SCHEMBL2639022 0.73 NAAA (0.86) NAAAGAAL3MBTL1
SCHEMBL6359440 0.73 NAAA (0.86) NAAAGAAL3MBTL1

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 5 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
EP-1806342-A1 3-CARBAMOYL-2-PYRIDONE DERIVATIVE SHIONOGI & CO., LTD. (JP) 2007-07-11 EP 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-20120208813-A1 3-CARBAMOYL-2-PYRIDONE DERIVATIVES CNR2, CNR1, HRH4 LMNA 4280/4885NAAA 657/4885GAA 4010/4885
US-20080103139-A1 3-Carbamoyl-2-Pyridone Derivative CNR1, CNR2, HRH4 LMNA 3604/4885NAAA 841/4885GAA 4580/4885

“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.