SCHEMBL4084562

SCHEMBL4084562

CCOC(=O)c1c(NC(=O)C23CC4CC(CC(C4)O2)C3)sc2c1C1CCC2C1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 11/20 0.48
CNR1 P21554 7/20 0.48
ALDH1A1 P00352 3/20 0.37
HPGD P15428 2/20 0.37
MAPT P10636 1/20 0.37
MAPK1 P28482 1/20 0.37
HSD17B10 Q99714 2/20 0.37
KDM4E B2RXH2 2/20 0.36
KMT2A Q03164 1/20 0.36
TSHR P16473 2/20 0.36
POLB P06746 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
CXCR2 P25025 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
SCHEMBL4091337 0.85 CNR2 (0.49) CNR2CNR1ALDH1A1HPGDMAPT
SCHEMBL2162090 0.81 CNR2 (0.52) CNR2CNR1ALDH1A1HPGDMAPT
SCHEMBL4085851 0.79 CNR2 (0.77) CNR2CNR1ALDH1A1HPGDMAPT
SCHEMBL4085627 0.78 CNR2 (0.76) CNR2CNR1ALDH1A1HPGDMAPT
SCHEMBL4091390 0.78 RPS6KB1 (0.50) CNR2CNR1ALDH1A1HPGDMAPT
SCHEMBL4081101 0.76 CNR2 (0.73) CNR2CNR1ALDH1A1MAPTMAPK1
SCHEMBL4095036 0.75 GAA (0.56) ALDH1A1HPGDMAPTMAPK1HSD17B10
SCHEMBL4084564 0.71 CNR2 (0.44) CNR2CNR1KMT2A
SCHEMBL927375 0.69 CNR2 (0.49) CNR2CNR1ALDH1A1MAPTKMT2A
SCHEMBL926794 0.69 CNR2 (0.49) CNR2CNR1ALDH1A1HPGDMAPT

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 1/4885ALDH1A1 1504/4885

“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.