SCHEMBL4094982

SCHEMBL4094982

CC(C)(C)c1cc(C(=O)N2CC(F)(F)C2)c(NC(=O)C23CC4CC(CC2C4)C3)s1

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 8/20 0.53
CNR1 P21554 3/20 0.53
MAPK14 Q16539 11/20 0.38
MAPK13 O15264 1/20 0.36
MAPK12 P53778 1/20 0.36
MAPK11 Q15759 1/20 0.36
RPS6KB1 P23443 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
SCHEMBL4090663 0.88 CNR2 (0.45) CNR2CNR1MAPK14MAPK13MAPK12
SCHEMBL4093014 0.85 CNR2 (0.55) CNR2CNR1
SCHEMBL4095389 0.83 CNR2 (0.41) CNR2CNR1MAPK14RPS6KB1
SCHEMBL3752729 0.83 CNR2 (0.41) CNR2CNR1MAPK14RPS6KB1
SCHEMBL4083931 0.81 CNR2 (0.53) CNR2CNR1
SCHEMBL4091024 0.79 CNR2 (0.55) CNR2CNR1
SCHEMBL3648724 0.78 CNR2 (0.47) CNR2CNR1MAPK14
SCHEMBL3646430 0.77 CNR2 (0.57) CNR2CNR1RPS6KB1
SCHEMBL3679591 0.76 CNR2 (0.48) CNR2CNR1
SCHEMBL3686465 0.75 CNR2 (0.51) CNR2CNR1

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 1/4885MAPK14 2749/4885

“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.