SCHEMBL4091396

SCHEMBL4091396

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 3/20 0.46
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
KMT2A Q03164 3/20 0.41
MAPK1 P28482 1/20 0.41
RPS6KB1 P23443 1/20 0.41
CDK2 P24941 1/20 0.41
MAPKAPK2 P49137 1/20 0.41
GSK3B P49841 1/20 0.41
RPS6KA3 P51812 1/20 0.41
KDM4E B2RXH2 6/20 0.41
ALDH1A1 P00352 5/20 0.41
GAA P10253 2/20 0.39
MAPT P10636 2/20 0.38
MEN1 O00255 1/20 0.38
TP53 P04637 1/20 0.38
HPGD P15428 2/20 0.38
CASP1 P29466 1/20 0.38
CNR1 P21554 1/20 0.38
POLB P06746 1/20 0.38

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
SCHEMBL4091477 0.93 CNR2 (0.44) CNR2CYP1A2CYP2D6KMT2AMAPK1
SCHEMBL4086670 0.92 CNR2 (0.47) CNR2CYP1A2CYP2D6KMT2AMAPK1
SCHEMBL4085526 0.89 CNR2 (0.47) CNR2CYP1A2CYP2D6RPS6KB1CDK2
SCHEMBL4084751 0.87 CNR2 (0.58) CNR2CYP1A2CYP2D6KMT2AMAPK1
SCHEMBL4086207 0.85 CNR2 (0.46) CNR2CYP1A2CYP2D6KMT2AMAPK1
SCHEMBL4085570 0.85 CNR2 (0.46) CNR2CYP1A2CYP2D6KMT2AMAPK1
SCHEMBL4094754 0.85 ALDH1A1 (0.43) CNR2CYP1A2CYP2D6KMT2AMAPK1
SCHEMBL4084838 0.85 ALDH1A1 (0.49) CNR2CYP1A2CYP2D6KDM4EALDH1A1
SCHEMBL4092577 0.84 CNR2 (0.51) CNR2CYP1A2CYP2D6KMT2AMAPK1
SCHEMBL4080989 0.84 CNR2 (0.46) CNR2CYP1A2CYP2D6KMT2AMAPK1

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 2/4885CYP1A2 847/4885CYP2D6 1121/4885

“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.