SCHEMBL2746509

SCHEMBL2746509

COC(=O)c1cc2c([nH]c1=O)CCCCCC2

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.64
ALDH1A1 P00352 5/20 0.64
HPGD P15428 1/20 0.64
HSD17B10 Q99714 1/20 0.64
USP2 O75604 1/20 0.49
NPSR1 Q6W5P4 1/20 0.46
GAA P10253 2/20 0.45
GLA P06280 1/20 0.45
HTT P42858 1/20 0.44
HRH4 Q9H3N8 1/20 0.41
MAPT P10636 2/20 0.41
L3MBTL1 Q9Y468 3/20 0.39
TSHR P16473 1/20 0.39
LMNA P02545 3/20 0.38
GRIA1 P42261 1/20 0.38
GRIA2 P42262 1/20 0.38
GRIA3 P42263 1/20 0.38
GRIA4 P48058 1/20 0.38
OPRM1 P35372 1/20 0.36
OPRK1 P41145 1/20 0.36

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
SCHEMBL18044712 0.98 KDM4E (0.66) KDM4EALDH1A1HPGDHSD17B10USP2
SCHEMBL17780994 0.95 KDM4E (0.61) KDM4EALDH1A1HPGDHSD17B10USP2
SCHEMBL18248776 0.83 TSHR (0.48) KDM4EALDH1A1HPGDHSD17B10USP2
SCHEMBL21975324 0.81 HRH4 (0.54) KDM4EALDH1A1HPGDHSD17B10USP2
SCHEMBL15101736 0.81 HRH4 (0.54) KDM4EALDH1A1HPGDHSD17B10USP2
SCHEMBL23090378 0.80 KDM4E (0.96) KDM4EALDH1A1HPGDHSD17B10NPSR1
SCHEMBL30705602 0.80 KDM4E (0.43) KDM4EALDH1A1HPGDHSD17B10USP2
SCHEMBL18044524 0.79 KDM4E (0.46) KDM4EALDH1A1HPGDHSD17B10USP2
SCHEMBL7047669 0.79 HRH4 (0.55) KDM4EALDH1A1HPGDHSD17B10USP2
SCHEMBL31376415 0.79 KDM4E (0.70) KDM4EALDH1A1HPGDHSD17B10USP2

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
EP-1806342-B1 3-CARBAMOYL-2-PYRIDONE DERIVATIVE SHIONOGI & CO (JP) 2013-04-17 EP disclosed
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 KDM4E 1326/4885ALDH1A1 3505/4885HPGD 1235/4885
US-20080103139-A1 3-Carbamoyl-2-Pyridone Derivative CNR1, CNR2, HRH4 KDM4E 1522/4885ALDH1A1 4132/4885HPGD 1169/4885

“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.