SCHEMBL4085796

SCHEMBL4085796

CC1(C)C(C(=O)Nc2sc3ccccc3c2C(=O)NCCO)C1(C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RPS6KB1 P23443 1/20 0.46
CDK2 P24941 1/20 0.46
MAPKAPK2 P49137 1/20 0.46
GSK3B P49841 1/20 0.46
RPS6KA3 P51812 1/20 0.46
CNR2 P34972 1/20 0.43
ABCC1 P33527 2/20 0.41
ABCG2 Q9UNQ0 1/20 0.41
ALDH1A1 P00352 5/20 0.41
NPC1 O15118 3/20 0.41
RAB9A P51151 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
PRNP P04156 1/20 0.41
GAA P10253 1/20 0.41
PKM P14618 1/20 0.41
KDM4E B2RXH2 4/20 0.40
HPGD P15428 2/20 0.37
MAPK1 P28482 2/20 0.37
HTT P42858 1/20 0.37
ACACB O00763 4/20 0.37

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
SCHEMBL4080303 0.91 RPS6KB1 (0.43) RPS6KB1CDK2MAPKAPK2GSK3BRPS6KA3
SCHEMBL4086750 0.91 CNR2 (0.53) RPS6KB1CDK2MAPKAPK2GSK3BRPS6KA3
SCHEMBL4086640 0.89 RAB9A (0.48) RPS6KB1CDK2MAPKAPK2GSK3BRPS6KA3
SCHEMBL4090698 0.89 KDM4E (0.50) RPS6KB1CDK2MAPKAPK2GSK3BRPS6KA3
SCHEMBL4094953 0.88 RPS6KB1 (0.50) RPS6KB1CDK2MAPKAPK2GSK3BRPS6KA3
SCHEMBL4090489 0.88 RPS6KB1 (0.44) RPS6KB1CDK2MAPKAPK2GSK3BRPS6KA3
SCHEMBL4084907 0.87 TP53 (0.45) RPS6KB1CDK2MAPKAPK2GSK3BRPS6KA3
SCHEMBL4091140 0.86 RPS6KB1 (0.49) RPS6KB1CDK2MAPKAPK2GSK3BRPS6KA3
SCHEMBL4080732 0.85 RPS6KB1 (0.45) RPS6KB1CDK2MAPKAPK2GSK3BRPS6KA3
SCHEMBL4084437 0.81 RPS6KB1 (0.47) 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.