SCHEMBL5509889

SCHEMBL5509889

CCc1c(C)cc(C(=O)NC(C)C)c(=O)n1CCC(C)C

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 8/20 0.49
CNR1 P21554 7/20 0.49
MAPT P10636 1/20 0.38
LMNA P02545 3/20 0.35
ADRA2A P08913 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
HTT P42858 3/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
ALDH1A1 P00352 4/20 0.35
KDM4E B2RXH2 2/20 0.34
BRD4 O60885 1/20 0.34
GLA P06280 1/20 0.33
GAA P10253 1/20 0.33
HPGD P15428 1/20 0.33
HSD17B10 Q99714 1/20 0.33

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
SCHEMBL5522236 0.89 CNR2 (0.53) CNR2CNR1LMNAADRA2ASMN1; SMN2
SCHEMBL11922691 0.89 CNR2 (0.50) CNR2CNR1MAPTLMNAADRA2A
SCHEMBL5509888 0.88 CNR2 (0.64) CNR2CNR1MAPT
SCHEMBL5525404 0.84 CNR2 (0.45) CNR2CNR1LMNAADRA2ASMN1; SMN2
SCHEMBL5516448 0.84 CNR2 (0.47) CNR2CNR1LMNAADRA2AHTT
SCHEMBL5519319 0.84 CNR2 (0.45) CNR2CNR1LMNAADRA2ASMN1; SMN2
SCHEMBL5525434 0.84 CNR2 (0.45) CNR2CNR1LMNAADRA2ASMN1; SMN2
SCHEMBL5521692 0.84 CNR2 (0.47) CNR2CNR1KMT2AALDH1A1KDM4E
SCHEMBL5514070 0.84 CNR2 (0.42) CNR2CNR1MAPTLMNAHTT
SCHEMBL14472357 0.83 CNR2 (0.44) CNR2CNR1MAPTLMNAADRA2A

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 8 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-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-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-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-20080103139-A1 3-Carbamoyl-2-Pyridone Derivative SHIONOGI & CO. LTD. (JP) 2008-05-01 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 (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 CNR2 1/4885CNR1 2/4885MAPT 2374/4885
US-20080103139-A1 3-Carbamoyl-2-Pyridone Derivative CNR1, CNR2, HRH4 CNR2 2/4885CNR1 1/4885MAPT 4270/4885

“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.