SCHEMBL4086640

SCHEMBL4086640

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.48
CNR2 P34972 2/20 0.47
RPS6KB1 P23443 1/20 0.47
CDK2 P24941 1/20 0.47
MAPKAPK2 P49137 1/20 0.47
GSK3B P49841 1/20 0.47
RPS6KA3 P51812 1/20 0.47
TSHR P16473 1/20 0.46
HTT P42858 1/20 0.46
ABCC1 P33527 1/20 0.42
ABCG2 Q9UNQ0 1/20 0.42
HPGD P15428 1/20 0.41
ALOX15 P16050 2/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
NPC1 O15118 1/20 0.41
ACACB O00763 2/20 0.41
ACACA Q13085 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
TP53 P04637 1/20 0.40
MDM2 Q00987 1/20 0.40

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
SCHEMBL4086750 0.93 CNR2 (0.53) RAB9ACNR2RPS6KB1CDK2MAPKAPK2
SCHEMBL4080303 0.89 RPS6KB1 (0.43) RAB9ACNR2RPS6KB1CDK2MAPKAPK2
SCHEMBL4084907 0.89 TP53 (0.45) RAB9ACNR2RPS6KB1CDK2MAPKAPK2
SCHEMBL4085796 0.89 RPS6KB1 (0.46) RAB9ACNR2RPS6KB1CDK2MAPKAPK2
SCHEMBL4094953 0.89 RPS6KB1 (0.50) CNR2RPS6KB1CDK2MAPKAPK2GSK3B
SCHEMBL4090698 0.87 KDM4E (0.50) RAB9ACNR2RPS6KB1CDK2MAPKAPK2
SCHEMBL4091140 0.86 RPS6KB1 (0.49) RAB9ACNR2RPS6KB1CDK2MAPKAPK2
SCHEMBL4090489 0.86 RPS6KB1 (0.44) RAB9ACNR2RPS6KB1CDK2MAPKAPK2
SCHEMBL4080732 0.83 RPS6KB1 (0.45) CNR2RPS6KB1CDK2MAPKAPK2GSK3B
SCHEMBL4090667 0.80 RPS6KB1 (0.47) RAB9ACNR2RPS6KB1CDK2MAPKAPK2

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 RAB9A 1141/4885CNR2 2/4885RPS6KB1 780/4885

“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.