SCHEMBL5538652

SCHEMBL5538652

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

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.49
MEN1 O00255 2/20 0.49
CNR1 P21554 3/20 0.48
CNR2 P34972 2/20 0.47
ALDH1A1 P00352 3/20 0.47
ATM Q13315 1/20 0.47
C5AR1 P21730 1/20 0.47
LMNA P02545 2/20 0.46
MAPT P10636 1/20 0.46
MAPK1 P28482 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
BRD4 O60885 3/20 0.45
GSK3A P49840 1/20 0.44
GSK3B P49841 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
ELANE P08246 1/20 0.44
NOTUM Q6P988 1/20 0.43

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
SCHEMBL2745695 0.85 CNR1 (0.56) KMT2AMEN1CNR1CNR2ALDH1A1
SCHEMBL10268766 0.85 ALDH1A1 (0.48) KMT2AMEN1CNR1CNR2ALDH1A1
SCHEMBL5542217 0.81 CNR2 (0.64) CNR1CNR2BRD4NOTUM
SCHEMBL2746507 0.81 TSHR (0.60) KMT2AMEN1CNR1CNR2ALDH1A1
SCHEMBL5512991 0.78 CNR2 (0.57) CNR1CNR2ALDH1A1BRD4NOTUM
SCHEMBL5510356 0.74 CNR2 (0.52) KMT2AMEN1CNR1CNR2ALDH1A1
SCHEMBL31560452 0.74 ALDH1A1 (0.57) KMT2AMEN1CNR1ALDH1A1ATM
SCHEMBL29200758 0.73 HPGD (0.60) KMT2AMEN1CNR1CNR2ALDH1A1
SCHEMBL30783420 0.73 HPGD (0.60) KMT2AMEN1CNR1CNR2ALDH1A1
SCHEMBL2745641 0.73 CNR2 (0.64) CNR1CNR2ALDH1A1NOTUM

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (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 KMT2A 2206/4885MEN1 3984/4885CNR1 1/4885

“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.