SCHEMBL4094794

SCHEMBL4094794

CCOC(=O)c1c(NC(=O)C2C(C)(C)C2(C)C)sc2cnccc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RPS6KB1 P23443 1/20 1.00
CDK2 P24941 1/20 1.00
MAPKAPK2 P49137 1/20 1.00
GSK3B P49841 1/20 1.00
RPS6KA3 P51812 1/20 1.00
ALDH1A1 P00352 10/20 0.46
KDM4E B2RXH2 6/20 0.46
MAPT P10636 5/20 0.46
HPGD P15428 4/20 0.45
KMT2A Q03164 4/20 0.45
MEN1 O00255 3/20 0.45
GLA P06280 1/20 0.43
GAA P10253 1/20 0.43
CASP1 P29466 1/20 0.43
HTT P42858 1/20 0.43
CASP7 P55210 1/20 0.43
NCOA1 Q15788 1/20 0.43
HSD17B10 Q99714 1/20 0.43
RCE1 Q9Y256 1/20 0.43
NCOA3 Q9Y6Q9 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
SCHEMBL4089737 0.84 RPS6KB1 (0.72) RPS6KB1CDK2MAPKAPK2GSK3BRPS6KA3
SCHEMBL3767865 0.74 MAPK1 (0.66) RPS6KB1CDK2MAPKAPK2GSK3BRPS6KA3
SCHEMBL24455393 0.71 RPS6KB1 (0.55) RPS6KB1CDK2MAPKAPK2GSK3BRPS6KA3
SCHEMBL12903924 0.70 MAPT (0.60) RPS6KB1CDK2MAPKAPK2GSK3BRPS6KA3
SCHEMBL2162614 0.70 RPS6KB1 (0.54) RPS6KB1CDK2MAPKAPK2GSK3BRPS6KA3
SCHEMBL3748506 0.70 RPS6KB1 (0.54) RPS6KB1CDK2MAPKAPK2GSK3BRPS6KA3
SCHEMBL4723975 0.70 KDM4E (0.73) RPS6KB1CDK2MAPKAPK2GSK3BRPS6KA3
SCHEMBL717339 0.70 ALDH1A1 (0.53) RPS6KB1CDK2MAPKAPK2GSK3BRPS6KA3
SCHEMBL1218547 0.69 KDM4E (0.52) RPS6KB1CDK2MAPKAPK2GSK3BRPS6KA3
SCHEMBL30555073 0.69 KDM4E (0.52) RPS6KB1CDK2MAPKAPK2GSK3BRPS6KA3

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-8338623-B2 N-{3-[(2,5-dimethylmorpholin-4-yl)carbonyl]-4,7-dihydro-5H-thieno[2,3-c]pyran-2-yl}hexahydro-2,5-methanopentalene-3a(1H)-carboxamide; CB2 receptors ligand; antiinflammatory, analgesic agent; autoimmune diseases; neuroprotectants ABBVIE INC. (US) 2012-12-25 US disclosed
US-20090018114-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS ABBOTT LABORATORIES (US) 2009-01-15 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-20090018114-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS CNR1, CNR2, GPR18 RPS6KB1 780/4885CDK2 645/4885MAPKAPK2 2195/4885

“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.