SCHEMBL5540263

SCHEMBL5540263

CCCC(C)(CCC)CC(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 1/20 0.48
CHRM1 P11229 1/20 0.48
TBXA2R P21731 1/20 0.48
ADRA1A P35348 1/20 0.48
FFAR1 O14842 1/20 0.46
CPT2 P23786 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
CYP2C19 P33261 2/20 0.46
HIF1A Q16665 2/20 0.46
CYP2D6 P10635 1/20 0.46
TSHR P16473 1/20 0.46
LMNA P02545 1/20 0.45
HSD17B10 Q99714 1/20 0.45
KDM4E B2RXH2 1/20 0.41
FFAR3 O14843 2/20 0.39
HDAC3 O15379 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HSPD1 P10809 1/20 0.36

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
SCHEMBL4742763 0.95 HMGCR (0.48) HMGCRCHRM1TBXA2RADRA1AFFAR1
SCHEMBL15237487 0.91 TDP1 (0.45) HMGCRCHRM1TBXA2RADRA1AFFAR1
SCHEMBL11922837 0.90 HMGCR (0.44) HMGCRCHRM1TBXA2RADRA1AFFAR1
SCHEMBL2349178 0.85 TDP1 (0.48) HMGCRCHRM1TBXA2RADRA1AFFAR1
SCHEMBL10776763 0.83 TDP1 (0.52) FFAR1CPT2TDP1TSHRHSD17B10
SCHEMBL19861311 0.81 TDP1 (0.56) FFAR1CPT2TDP1TSHRHSD17B10
SCHEMBL2348425 0.81 TDP1 (0.56) FFAR1CPT2TDP1TSHRHSD17B10
SCHEMBL22877776 0.81 TDP1 (0.56) FFAR1CPT2TDP1TSHRHSD17B10
SCHEMBL19658046 0.81 TDP1 (0.56) FFAR1CPT2TDP1TSHRHSD17B10
SCHEMBL18852720 0.81 TDP1 (0.56) FFAR1CPT2TDP1TSHRHSD17B10

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
EP-1806342-B1 3-CARBAMOYL-2-PYRIDONE DERIVATIVE SHIONOGI & CO (JP) 2013-04-17 EP 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 HMGCR 2709/4885CHRM1 12/4885TBXA2R 302/4885

“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.