SCHEMBL5522923

SCHEMBL5522923

CCCCn1c(CCC)c(CC)cc(C(=O)Nc2nc(CC(=O)O)ns2)c1=O

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 9/20 0.43
CNR1 P21554 6/20 0.39
ALDH1A1 P00352 4/20 0.38
KMT2A Q03164 4/20 0.36
ALOX15 P16050 1/20 0.36
NPC1 O15118 1/20 0.35
KDM4E B2RXH2 2/20 0.35
HTT P42858 1/20 0.35
MEN1 O00255 3/20 0.35
MAPT P10636 2/20 0.35
NPSR1 Q6W5P4 2/20 0.35
HSD17B10 Q99714 1/20 0.34
LMNA P02545 1/20 0.34

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
SCHEMBL14865391 0.96 CNR2 (0.39) CNR2CNR1ALDH1A1KMT2AALOX15
SCHEMBL5518874 0.83 CNR2 (0.50) CNR2CNR1ALDH1A1KMT2ANPC1
SCHEMBL5519124 0.77 CNR2 (0.41) CNR2CNR1ALDH1A1KMT2AALOX15
SCHEMBL11922863 0.75 CNR2 (0.55) CNR2CNR1
SCHEMBL5520743 0.75 CNR2 (0.53) CNR2CNR1
SCHEMBL5525198 0.74 CNR2 (0.53) CNR2CNR1NPC1
SCHEMBL5522763 0.74 CNR2 (0.51) CNR2CNR1KMT2AMEN1NPSR1
SCHEMBL2745669 0.74 CNR2 (0.50) CNR2CNR1ALDH1A1KDM4EHTT
SCHEMBL14865409 0.73 HTT (0.47) ALDH1A1KMT2AALOX15NPC1KDM4E
SCHEMBL5515502 0.72 CNR2 (0.61) CNR2CNR1

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
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-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
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 (1 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-20080103139-A1 3-Carbamoyl-2-Pyridone Derivative CNR1, CNR2, HRH4 CNR2 2/4885CNR1 1/4885ALDH1A1 4132/4885

“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.