SCHEMBL2746401

SCHEMBL2746401

CCCCCc1ccc(C#N)c(=O)n1CCCC

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 4/20 0.43
KDM4E B2RXH2 4/20 0.43
HPGD P15428 4/20 0.43
TDP1 Q9NUW8 1/20 0.41
ADORA2A P29274 1/20 0.38
RORA P35398 2/20 0.38
RORC P51449 2/20 0.38
RORB Q92753 2/20 0.38
PGR P06401 1/20 0.37
GPR84 Q9NQS5 1/20 0.36
ALDH1A1 P00352 3/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
LMNA P02545 2/20 0.35
GAA P10253 1/20 0.35
GRK6 P43250 1/20 0.35
MAPT P10636 1/20 0.35
TSHR P16473 1/20 0.35
HSD17B10 Q99714 1/20 0.35

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
SCHEMBL8604899 0.80 L3MBTL1 (0.47) L3MBTL1KDM4EHPGDTDP1RORA
SCHEMBL11204319 0.78 KDM4E (0.44) L3MBTL1KDM4EHPGDTDP1ADORA2A
SCHEMBL8485321 0.78 KDM4E (0.44) L3MBTL1KDM4EHPGDTDP1ADORA2A
SCHEMBL8483548 0.78 KDM4E (0.44) L3MBTL1KDM4EHPGDTDP1ADORA2A
SCHEMBL9337738 0.72 PPARG (0.56)
SCHEMBL11373378 0.70 KDM4E (0.49) L3MBTL1KDM4EHPGDTDP1ADORA2A
SCHEMBL2760206 0.70 L3MBTL1 (0.48) L3MBTL1KDM4EHPGDTDP1ADORA2A
SCHEMBL2745777 0.70 L3MBTL1 (0.45) L3MBTL1KDM4EHPGDTDP1ADORA2A
SCHEMBL3821765 0.68 GRM2 (0.44) L3MBTL1KDM4EHPGDTDP1ALDH1A1
SCHEMBL7215402 0.67 TLR8 (0.40) L3MBTL1KDM4EHPGDTDP1GPR84

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 L3MBTL1 4811/4885KDM4E 1326/4885HPGD 1235/4885
US-20080103139-A1 3-Carbamoyl-2-Pyridone Derivative CNR1, CNR2, HRH4 L3MBTL1 3878/4885KDM4E 1522/4885HPGD 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.