SCHEMBL4080533

SCHEMBL4080533

COCC(C)NC(=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
ALDH1A1 P00352 10/20 0.46
HPGD P15428 3/20 0.46
KDM4E B2RXH2 6/20 0.39
POLB P06746 2/20 0.38
LMNA P02545 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
MAPT P10636 2/20 0.38
HSD17B10 Q99714 2/20 0.38
APOBEC3G Q9HC16 1/20 0.38
CNR2 P34972 1/20 0.37
EGLN1 Q9GZT9 1/20 0.37
RPS6KB1 P23443 1/20 0.37
CDK2 P24941 1/20 0.37
MAPKAPK2 P49137 1/20 0.37
GSK3B P49841 1/20 0.37
RPS6KA3 P51812 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.37

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
SCHEMBL4091334 0.87 ALDH1A1 (0.46) ALDH1A1HPGDKDM4EPOLBLMNA
SCHEMBL4080979 0.86 ALDH1A1 (0.60) ALDH1A1HPGDKDM4EPOLBLMNA
SCHEMBL4085526 0.84 CNR2 (0.47) ALDH1A1HPGDKDM4EPOLBCYP1A2
SCHEMBL4091302 0.82 ALDH1A1 (0.48) ALDH1A1HPGDKDM4EPOLBLMNA
SCHEMBL4090409 0.81 ALDH1A1 (0.44) ALDH1A1HPGDKDM4EPOLBLMNA
SCHEMBL4084838 0.80 ALDH1A1 (0.49) ALDH1A1HPGDKDM4EPOLBCYP1A2
SCHEMBL4080147 0.78 HPGD (0.52) ALDH1A1HPGDPOLBLMNACYP1A2
SCHEMBL4094754 0.78 ALDH1A1 (0.43) ALDH1A1HPGDKDM4EPOLBLMNA
SCHEMBL4090818 0.78 ALDH1A1 (0.43) ALDH1A1HPGDKDM4EPOLBLMNA
SCHEMBL4080663 0.78 TAS1R3 (0.43) ALDH1A1HPGDKDM4EPOLBLMNA

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 ALDH1A1 1504/4885HPGD 1873/4885KDM4E 2443/4885

“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.