SCHEMBL5537580

SCHEMBL5537580

CCc1c(C)cc(C(=O)NC)c(=O)n1Cc1ccc(OC)cc1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 4/20 0.52
CNR2 P34972 4/20 0.52
BRD4 O60885 2/20 0.50
KLKB1 P03952 1/20 0.46
FAAH O00519 1/20 0.44
ABHD6 Q9BV23 1/20 0.44
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
ALDH1A1 P00352 3/20 0.42
MAPT P10636 2/20 0.42
KDM4E B2RXH2 1/20 0.42
ALOX15 P16050 1/20 0.42
PDE10A Q9Y233 1/20 0.41
TP53 P04637 1/20 0.41
PDE1A P54750 1/20 0.40
PDE1B Q01064 1/20 0.40
PDE1C Q14123 1/20 0.40
LMNA P02545 1/20 0.40
POLB P06746 1/20 0.40

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
SCHEMBL5513639 0.89 CNR2 (0.52) CNR1CNR2BRD4KLKB1FAAH
SCHEMBL14472512 0.87 CNR2 (0.54) CNR1CNR2BRD4FAAHMEN1
SCHEMBL5514468 0.86 CNR2 (0.67) CNR1CNR2BRD4FAAHABHD6
SCHEMBL5542217 0.86 CNR2 (0.64) CNR1CNR2BRD4
SCHEMBL5516297 0.82 CNR2 (0.54) CNR1CNR2BRD4FAAHALDH1A1
SCHEMBL5525266 0.81 CNR2 (0.80) CNR1CNR2FAAHABHD6
SCHEMBL14865368 0.79 CNR2 (0.63) CNR1CNR2FAAHABHD6ALDH1A1
SCHEMBL11920674 0.78 CNR2 (0.55) CNR1CNR2BRD4FAAHMEN1
SCHEMBL11922948 0.77 CNR2 (0.54) CNR1CNR2BRD4FAAHALDH1A1
SCHEMBL5508310 0.77 CNR2 (0.54) CNR1CNR2BRD4

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 4 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

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 CNR1 2/4885CNR2 1/4885BRD4 135/4885
US-20080103139-A1 3-Carbamoyl-2-Pyridone Derivative CNR1, CNR2, HRH4 CNR1 1/4885CNR2 2/4885BRD4 176/4885

“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.