SCHEMBL4090563

SCHEMBL4090563

CCCN(C)C(=O)c1c(NC(=O)C2C(C)(C)C2(C)C)sc(C)c1C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCC1 P33527 2/20 0.40
KIF11 P52732 1/20 0.39
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
KMT2A Q03164 1/20 0.39
MAPK1 P28482 1/20 0.39
ALDH1A1 P00352 6/20 0.38
KDM4E B2RXH2 5/20 0.38
LMNA P02545 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
AIP O00170 1/20 0.36
SGTA O43765 1/20 0.36
TOMM70 O94826 1/20 0.36
STIP1 P31948 1/20 0.36

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
SCHEMBL4094731 0.93 KMT2A (0.39) ABCC1KIF11RPS6KB1CDK2MAPKAPK2
SCHEMBL4091042 0.90 ABCC1 (0.44) ABCC1KIF11RPS6KB1CDK2MAPKAPK2
SCHEMBL4084751 0.77 CNR2 (0.58) ABCC1RPS6KB1CDK2MAPKAPK2GSK3B
SCHEMBL3745498 0.77 ABCC1 (0.51) ABCC1RPS6KB1CDK2MAPKAPK2GSK3B
SCHEMBL4080989 0.76 CNR2 (0.46) ABCC1RPS6KB1CDK2MAPKAPK2GSK3B
SCHEMBL3767865 0.76 MAPK1 (0.66) RPS6KB1CDK2MAPKAPK2GSK3BRPS6KA3
SCHEMBL4091316 0.76 ALDH1A1 (0.58) KMT2AMAPK1ALDH1A1KDM4EL3MBTL1
SCHEMBL4092577 0.75 CNR2 (0.51) ABCC1RPS6KB1CDK2MAPKAPK2GSK3B
SCHEMBL4080504 0.74 CNR2 (0.50) ABCC1RPS6KB1CDK2MAPKAPK2GSK3B
SCHEMBL4090409 0.73 ALDH1A1 (0.44) ABCC1KIF11RPS6KB1CDK2MAPKAPK2

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 ABCC1 2675/4885KIF11 4210/4885RPS6KB1 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.