SCHEMBL4084889

SCHEMBL4084889

CCCNC(=O)c1c(NC(=O)C2C(C)(C)C2(C)C)sc2c1CCS2

nearest known ligand 0.67

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 15/20 0.67
CNR1 P21554 3/20 0.44
TP53 P04637 1/20 0.41
POLB P06746 1/20 0.39
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
RPS6KB1 P23443 1/20 0.34
CDK2 P24941 1/20 0.34
MAPKAPK2 P49137 1/20 0.34
GSK3B P49841 1/20 0.34
RPS6KA3 P51812 1/20 0.34

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
SCHEMBL4080114 0.82 CNR2 (0.70) CNR2CNR1TP53POLBCYP1A2
SCHEMBL4085763 0.82 CNR2 (0.43) CNR2RPS6KB1CDK2MAPKAPK2GSK3B
SCHEMBL4095565 0.81 CNR2 (0.74) CNR2CNR1TP53CYP1A2CYP2C9
SCHEMBL4084167 0.81 CNR2 (0.74) CNR2CNR1TP53CYP1A2CYP2C9
SCHEMBL4090049 0.81 RPS6KB1 (0.51) CNR2CNR1POLBRPS6KB1CDK2
SCHEMBL4094976 0.80 CNR2 (1.00) CNR2CNR1TP53
SCHEMBL4080530 0.76 CNR2 (0.71) CNR2CNR1TP53POLBCYP1A2
SCHEMBL4084751 0.76 CNR2 (0.58) CNR2CNR1TP53POLBCYP1A2
SCHEMBL4089515 0.75 CNR2 (0.71) CNR2CNR1TP53POLBCYP1A2
SCHEMBL4079868 0.74 CNR2 (0.66) CNR2CNR1TP53CYP1A2CYP2C9

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 1/4885TP53 4856/4885

“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.