SCHEMBL4086750

SCHEMBL4086750

CCCNC(=O)c1c(NC(=O)C2C(C)(C)C2(C)C)sc2ccccc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 3/20 0.53
RPS6KB1 P23443 1/20 0.48
CDK2 P24941 1/20 0.48
MAPKAPK2 P49137 1/20 0.48
GSK3B P49841 1/20 0.48
RPS6KA3 P51812 1/20 0.48
ABCC1 P33527 2/20 0.44
ABCG2 Q9UNQ0 1/20 0.44
MAPT P10636 3/20 0.43
POLB P06746 2/20 0.40
ACACB O00763 6/20 0.39
ACACA Q13085 6/20 0.39
RAB9A P51151 3/20 0.39
NPC1 O15118 2/20 0.39
KDM4E B2RXH2 2/20 0.38
HPGD P15428 2/20 0.38
ALDH1A1 P00352 1/20 0.38
GFER P55789 1/20 0.38
ESR1 P03372 1/20 0.38
JMJD7 P0C870 1/20 0.38

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
SCHEMBL4086640 0.93 RAB9A (0.48) CNR2RPS6KB1CDK2MAPKAPK2GSK3B
SCHEMBL4085796 0.91 RPS6KB1 (0.46) CNR2RPS6KB1CDK2MAPKAPK2GSK3B
SCHEMBL4094953 0.91 RPS6KB1 (0.50) CNR2RPS6KB1CDK2MAPKAPK2GSK3B
SCHEMBL4090698 0.89 KDM4E (0.50) CNR2RPS6KB1CDK2MAPKAPK2GSK3B
SCHEMBL4091140 0.88 RPS6KB1 (0.49) CNR2RPS6KB1CDK2MAPKAPK2GSK3B
SCHEMBL4090489 0.88 RPS6KB1 (0.44) CNR2RPS6KB1CDK2MAPKAPK2GSK3B
SCHEMBL4084907 0.87 TP53 (0.45) CNR2RPS6KB1CDK2MAPKAPK2GSK3B
SCHEMBL4080303 0.87 RPS6KB1 (0.43) CNR2RPS6KB1CDK2MAPKAPK2GSK3B
SCHEMBL4080732 0.85 RPS6KB1 (0.45) CNR2RPS6KB1CDK2MAPKAPK2GSK3B
SCHEMBL4090667 0.82 RPS6KB1 (0.47) CNR2RPS6KB1CDK2MAPKAPK2GSK3B

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.