SCHEMBL4091393

SCHEMBL4091393

CCC12CCC(C1)c1sc(NC(=O)C3C(C)(C)C3(C)C)c(C(=O)O)c12

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.36
RPS6KB1 P23443 1/20 0.34
CDK2 P24941 1/20 0.34
MAPKAPK2 P49137 1/20 0.34
GSK3B P49841 1/20 0.34
RPS6KA3 P51812 1/20 0.34

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
SCHEMBL2162224 0.65 CNR2 (0.39) CNR2RPS6KB1CDK2MAPKAPK2GSK3B
SCHEMBL3745498 0.64 ABCC1 (0.51) CNR2RPS6KB1CDK2MAPKAPK2GSK3B
SCHEMBL4090736 0.64 POLB (0.45) CNR2RPS6KB1CDK2MAPKAPK2GSK3B
SCHEMBL4091390 0.63 RPS6KB1 (0.50) CNR2RPS6KB1CDK2MAPKAPK2GSK3B
SCHEMBL4091622 0.62 PTPN1 (0.63)
SCHEMBL4086799 0.62 PTPN1 (0.63)
SCHEMBL4085763 0.61 CNR2 (0.43) CNR2RPS6KB1CDK2MAPKAPK2GSK3B
SCHEMBL4079889 0.60 PTPN1 (0.66) CNR2
SCHEMBL2163111 0.60 CNR2 (0.46) CNR2
SCHEMBL4090461 0.60 CNR2 (0.70) CNR2

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 CNR2 2/4885RPS6KB1 780/4885CDK2 645/4885

“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.