SCHEMBL4085526

SCHEMBL4085526

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

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 10/20 0.47
CNR1 P21554 3/20 0.47
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
ALDH1A1 P00352 4/20 0.43
KDM4E B2RXH2 3/20 0.43
MAPT P10636 3/20 0.40
POLB P06746 1/20 0.40
HPGD P15428 1/20 0.40
HSD17B10 Q99714 1/20 0.40
APOBEC3G Q9HC16 1/20 0.40
EGLN1 Q9GZT9 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

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
SCHEMBL4084838 0.93 ALDH1A1 (0.49) CNR2CNR1CYP1A2CYP2D6ALDH1A1
SCHEMBL4091396 0.89 CNR2 (0.46) CNR2CNR1CYP1A2CYP2D6ALDH1A1
SCHEMBL4086670 0.88 CNR2 (0.47) CNR2CNR1CYP1A2CYP2D6ALDH1A1
SCHEMBL4094754 0.88 ALDH1A1 (0.43) CNR2CNR1CYP1A2CYP2D6ALDH1A1
SCHEMBL4084751 0.87 CNR2 (0.58) CNR2CNR1CYP1A2CYP2D6ALDH1A1
SCHEMBL4092577 0.85 CNR2 (0.51) CNR2CYP1A2CYP2D6ALDH1A1KDM4E
SCHEMBL4090499 0.85 CNR2 (0.46) CNR2CYP1A2CYP2D6ALDH1A1KDM4E
SCHEMBL4091477 0.85 CNR2 (0.44) CNR2CYP1A2CYP2D6ALDH1A1KDM4E
SCHEMBL4090413 0.84 NPC1 (0.55) CNR1CYP1A2CYP2D6ALDH1A1KDM4E
SCHEMBL4080533 0.84 ALDH1A1 (0.46) CNR2CYP1A2ALDH1A1KDM4EMAPT

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 2/4885CNR1 1/4885CYP1A2 847/4885

“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.