SCHEMBL4094958

SCHEMBL4094958

CCCNC(=O)c1c(NC(=O)C23CC4CC(CC2C4)C3)sc2c1CCN(C(=O)OC(C)(C)C)C2

nearest known ligand 0.73

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 12/20 0.73
CNR1 P21554 4/20 0.67
ADORA1 P30542 2/20 0.44
POLB P06746 1/20 0.40
NPSR1 Q6W5P4 3/20 0.40
MAPT P10636 3/20 0.40
PKM P14618 1/20 0.40
BLM P54132 1/20 0.40
GPR55 Q9Y2T6 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ATM Q13315 1/20 0.39
KDM4E B2RXH2 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
SCHEMBL4086762 0.88 ADORA1 (0.55) CNR2CNR1ADORA1NPSR1MAPT
SCHEMBL4091163 0.87 ADORA1 (0.58) CNR2CNR1ADORA1NPSR1MAPT
SCHEMBL4090606 0.85 CNR2 (1.00) CNR2CNR1ADORA1POLBNPSR1
SCHEMBL4084143 0.82 CNR2 (0.78) CNR2CNR1POLBKDM4E
SCHEMBL14300734 0.82 CNR2 (0.78) CNR2CNR1POLB
SCHEMBL3808195 0.81 CNR2 (1.00) CNR2CNR1
SCHEMBL4090619 0.81 CNR2 (1.00) CNR2CNR1
SCHEMBL4086647 0.81 CNR2 (0.54) CNR2CNR1ADORA1NPSR1MAPT
SCHEMBL4090041 0.80 CNR2 (0.98) CNR2CNR1
SCHEMBL4091368 0.80 CNR2 (0.98) 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 1/4885ADORA1 364/4885

“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.