SCHEMBL5542217

SCHEMBL5542217

CCc1c(C)cc(C(=O)NC)c(=O)n1Cc1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 5/20 0.64
CNR1 P21554 4/20 0.64
BRD4 O60885 14/20 0.57
BRD2 P25440 3/20 0.51
BRD3 Q15059 3/20 0.51
BRDT Q58F21 3/20 0.51
TRIM24 O15164 1/20 0.47
BRD1 O95696 1/20 0.47
CCL2 P13500 1/20 0.47
TAF1 P21675 1/20 0.47
SMARCA2 P51531 1/20 0.47
SMARCA4 P51532 1/20 0.47
BRPF1 P55201 1/20 0.47
EP300 Q09472 1/20 0.47
BPTF Q12830 1/20 0.47
CACNA1C Q13936 1/20 0.47
ATAD2 Q6PL18 1/20 0.47
PBRM1 Q86U86 1/20 0.47
TAF1L Q8IZX4 1/20 0.47
CREBBP Q92793 1/20 0.47

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
SCHEMBL14472512 0.89 CNR2 (0.54) CNR2CNR1BRD4BRD2BRD3
SCHEMBL5514468 0.88 CNR2 (0.67) CNR2CNR1BRD4
SCHEMBL2745695 0.87 CNR1 (0.56) CNR2CNR1BRD4NOTUM
SCHEMBL5512991 0.87 CNR2 (0.57) CNR2CNR1BRD4NOTUM
SCHEMBL5537580 0.86 CNR1 (0.52) CNR2CNR1BRD4
SCHEMBL5516297 0.83 CNR2 (0.54) CNR2CNR1BRD4
SCHEMBL2746507 0.82 TSHR (0.60) CNR2CNR1
SCHEMBL5538652 0.81 KMT2A (0.49) CNR2CNR1BRD4NOTUM
SCHEMBL5525217 0.81 CNR2 (0.84) CNR2CNR1
SCHEMBL11922842 0.78 CNR2 (0.67) 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 5 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
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 CNR2 1/4885CNR1 2/4885BRD4 135/4885
US-20080103139-A1 3-Carbamoyl-2-Pyridone Derivative CNR1, CNR2, HRH4 CNR2 2/4885CNR1 1/4885BRD4 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.