SCHEMBL3767865

SCHEMBL3767865

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

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.66
KDM4E B2RXH2 6/20 0.61
ALDH1A1 P00352 10/20 0.61
KMT2A Q03164 6/20 0.59
TP53 P04637 2/20 0.59
RPS6KB1 P23443 1/20 0.58
CDK2 P24941 1/20 0.58
MAPKAPK2 P49137 1/20 0.58
GSK3B P49841 1/20 0.58
RPS6KA3 P51812 1/20 0.58
MEN1 O00255 5/20 0.56
MAPT P10636 3/20 0.56
GAA P10253 2/20 0.56
CYP1A2 P05177 1/20 0.56
CYP3A4 P08684 1/20 0.56
CYP2C9 P11712 1/20 0.56
CYP2C19 P33261 1/20 0.56
NPSR1 Q6W5P4 1/20 0.56
HPGD P15428 5/20 0.55
L3MBTL1 Q9Y468 1/20 0.55

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
SCHEMBL10406531 0.81 KMT2A (0.75) MAPK1KDM4EALDH1A1KMT2ATP53
SCHEMBL3745498 0.81 ABCC1 (0.51) MAPK1KDM4EALDH1A1KMT2ATP53
SCHEMBL11356974 0.81 ALDH1A1 (0.75) MAPK1KDM4EALDH1A1KMT2ATP53
SCHEMBL4080989 0.81 CNR2 (0.46) MAPK1KDM4EALDH1A1KMT2ARPS6KB1
SCHEMBL18542006 0.80 MAPK1 (1.00) MAPK1KDM4EALDH1A1KMT2ATP53
SCHEMBL4091316 0.80 ALDH1A1 (0.58) MAPK1KDM4EALDH1A1KMT2ATP53
SCHEMBL4091396 0.79 CNR2 (0.46) MAPK1KDM4EALDH1A1KMT2ATP53
SCHEMBL4084751 0.78 CNR2 (0.58) MAPK1KDM4EALDH1A1KMT2ATP53
SCHEMBL4091042 0.78 ABCC1 (0.44) MAPK1KDM4EALDH1A1KMT2ATP53
SCHEMBL10612470 0.78 MAPK1 (0.71) MAPK1KDM4EALDH1A1KMT2ATP53

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 4 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
EP-2176219-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS Abbott Laboratories (US) 2010-04-21 EP disclosed
WO-2009009550-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS ABBOTT LABORATORIES (US) 2009-01-15 WO 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 MAPK1 2019/4885KDM4E 2443/4885ALDH1A1 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.