SCHEMBL4085677

SCHEMBL4085677

CC1(C)C(C(=O)Nc2sc3c(c2C(=O)NCc2ccncc2)CCOC3)C1(C)C

nearest known ligand 0.68

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 14/20 0.68
USP36 Q9P275 1/20 0.53
CNR1 P21554 3/20 0.47
PTGER4 P35408 1/20 0.46
ANO1 Q5XXA6 1/20 0.46
CFTR P13569 1/20 0.45
KIF11 P52732 1/20 0.44
MGAM O43451 1/20 0.44

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
SCHEMBL4084530 0.89 CNR2 (0.64) CNR2USP36MGAM
SCHEMBL4089826 0.85 CNR2 (0.66) CNR2USP36CNR1ANO1MGAM
SCHEMBL4094482 0.83 CNR2 (0.84) CNR2CNR1ANO1CFTRKIF11
SCHEMBL4094976 0.81 CNR2 (1.00) CNR2CNR1ANO1
SCHEMBL4087139 0.81 CNR2 (0.84) CNR2CNR1ANO1CFTR
SCHEMBL4095551 0.79 CNR2 (0.81) CNR2CNR1ANO1CFTR
SCHEMBL4086068 0.79 CNR2 (0.81) CNR2CNR1
SCHEMBL4083894 0.79 CNR2 (0.73) CNR2CNR1PTGER4ANO1
SCHEMBL4090404 0.78 CNR2 (0.66) CNR2CNR1ANO1CFTR
SCHEMBL4080130 0.77 RORC (0.68) MGAM

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 2/4885USP36 3015/4885CNR1 1/4885

“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.