SCHEMBL4090409

SCHEMBL4090409

CCC(CC)NC(=O)c1c(NC(=O)C2C(C)(C)C2(C)C)sc(C)c1C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.44
HPGD P15428 6/20 0.44
RPS6KB1 P23443 1/20 0.39
CDK2 P24941 1/20 0.39
MAPKAPK2 P49137 1/20 0.39
GSK3B P49841 1/20 0.39
RPS6KA3 P51812 1/20 0.39
CNR2 P34972 1/20 0.39
MAPT P10636 4/20 0.39
MAPK1 P28482 2/20 0.39
KMT2A Q03164 1/20 0.39
LMNA P02545 1/20 0.39
PLA2G1B P04054 1/20 0.39
ATG4B Q9Y4P1 1/20 0.39
KDM4E B2RXH2 5/20 0.39
POLB P06746 2/20 0.38
CYP1A2 P05177 2/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
CASP1 P29466 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
SCHEMBL4091334 0.89 ALDH1A1 (0.46) ALDH1A1HPGDRPS6KB1CDK2MAPKAPK2
SCHEMBL4080979 0.85 ALDH1A1 (0.60) ALDH1A1HPGDRPS6KB1CDK2MAPKAPK2
SCHEMBL4090818 0.84 ALDH1A1 (0.43) ALDH1A1HPGDRPS6KB1CDK2MAPKAPK2
SCHEMBL4091302 0.83 ALDH1A1 (0.48) ALDH1A1HPGDMAPTMAPK1LMNA
SCHEMBL4080989 0.83 CNR2 (0.46) ALDH1A1HPGDRPS6KB1CDK2MAPKAPK2
SCHEMBL4080533 0.81 ALDH1A1 (0.46) ALDH1A1HPGDRPS6KB1CDK2MAPKAPK2
SCHEMBL4084751 0.81 CNR2 (0.58) ALDH1A1HPGDRPS6KB1CDK2MAPKAPK2
SCHEMBL4080663 0.80 TAS1R3 (0.43) ALDH1A1HPGDRPS6KB1CDK2MAPKAPK2
SCHEMBL4091304 0.79 MAPK1 (0.41) ALDH1A1HPGDRPS6KB1CDK2MAPKAPK2
SCHEMBL4092577 0.79 CNR2 (0.51) ALDH1A1RPS6KB1CDK2MAPKAPK2GSK3B

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 ALDH1A1 1504/4885HPGD 1873/4885RPS6KB1 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.