SCHEMBL4085420

SCHEMBL4085420

CCOC(=O)c1c(NC(=O)C2C(C)(C)C2(C)C)sc2c1C1CCN2CC1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.62
KDM4E B2RXH2 4/20 0.62
HPGD P15428 4/20 0.62
KMT2A Q03164 4/20 0.62
POLB P06746 3/20 0.62
SMN1; SMN2 Q16637 3/20 0.62
MEN1 O00255 3/20 0.62
HTT P42858 2/20 0.62
CYP2C9 P11712 1/20 0.62
CYP2C19 P33261 1/20 0.62
NPSR1 Q6W5P4 1/20 0.62
GAA P10253 1/20 0.60
RPS6KB1 P23443 1/20 0.48
CDK2 P24941 1/20 0.48
MAPKAPK2 P49137 1/20 0.48
GSK3B P49841 1/20 0.48
RPS6KA3 P51812 1/20 0.48
MAPT P10636 4/20 0.45
MAPK1 P28482 1/20 0.45
HSD17B10 Q99714 2/20 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
SCHEMBL4090736 0.84 POLB (0.45) ALDH1A1KDM4EHPGDKMT2APOLB
SCHEMBL4080565 0.82 CNR2 (0.53) ALDH1A1KDM4EHPGDKMT2APOLB
SCHEMBL4091322 0.79 ALDH1A1 (0.56) ALDH1A1KDM4EHPGDKMT2APOLB
SCHEMBL4091390 0.78 RPS6KB1 (0.50) ALDH1A1KDM4EHPGDKMT2APOLB
SCHEMBL4080261 0.77 CNR2 (0.43) ALDH1A1KDM4EHPGDKMT2APOLB
SCHEMBL4080036 0.77 GAA (0.97) ALDH1A1KDM4EHPGDKMT2APOLB
SCHEMBL2162073 0.75 KMT2A (0.51) ALDH1A1KDM4EHPGDKMT2APOLB
SCHEMBL4096386 0.74 ALDH1A1 (0.59) ALDH1A1KDM4EHPGDKMT2APOLB
SCHEMBL3767865 0.74 MAPK1 (0.66) ALDH1A1KDM4EHPGDKMT2AMEN1
SCHEMBL4085865 0.71 KDM4E (0.68) ALDH1A1KDM4EHPGDKMT2APOLB

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 1504/4885KDM4E 2443/4885HPGD 1873/4885

“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.