SCHEMBL4090049

SCHEMBL4090049

CCOC(=O)c1c(NC(=O)C2C(C)(C)C2(C)C)sc2c1CCS2

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RPS6KB1 P23443 1/20 0.51
CDK2 P24941 1/20 0.51
MAPKAPK2 P49137 1/20 0.51
GSK3B P49841 1/20 0.51
RPS6KA3 P51812 1/20 0.51
KMT2A Q03164 1/20 0.47
ALDH1A1 P00352 8/20 0.46
MAPT P10636 7/20 0.46
LMNA P02545 3/20 0.46
HTT P42858 2/20 0.45
TDP1 Q9NUW8 3/20 0.45
MAPK1 P28482 2/20 0.45
CNR2 P34972 2/20 0.45
CNR1 P21554 1/20 0.45
USP2 O75604 1/20 0.45
TSHR P16473 5/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
HPGD P15428 2/20 0.45
KDM4E B2RXH2 6/20 0.43
POLB P06746 3/20 0.43

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
SCHEMBL4085763 0.83 CNR2 (0.43) RPS6KB1CDK2MAPKAPK2GSK3BRPS6KA3
SCHEMBL4090889 0.82 MAPT (0.59) RPS6KB1CDK2MAPKAPK2GSK3BRPS6KA3
SCHEMBL4084889 0.81 CNR2 (0.67) RPS6KB1CDK2MAPKAPK2GSK3BRPS6KA3
SCHEMBL4084162 0.80 MAPT (0.72) KMT2AALDH1A1MAPTLMNAHTT
SCHEMBL4084306 0.80 CNR1 (0.69) ALDH1A1MAPTLMNAHTTTDP1
SCHEMBL4080930 0.80 CNR2 (0.69) RPS6KB1CDK2MAPKAPK2GSK3BRPS6KA3
SCHEMBL4080512 0.76 ADORA1 (0.60) RPS6KB1CDK2MAPKAPK2GSK3BRPS6KA3
SCHEMBL3767865 0.76 MAPK1 (0.66) RPS6KB1CDK2MAPKAPK2GSK3BRPS6KA3
SCHEMBL4085865 0.76 KDM4E (0.68) KMT2AALDH1A1MAPTHTTTDP1
SCHEMBL6204199 0.76 MEN1 (0.66) KMT2AALDH1A1MAPTLMNAHTT

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 RPS6KB1 780/4885CDK2 645/4885MAPKAPK2 2195/4885

“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.