SCHEMBL4080512

SCHEMBL4080512

CCOC(=O)c1c(NC(=O)C2C(C)(C)C2(C)C)sc2c1CCNC2

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 2/20 0.60
MAPT P10636 7/20 0.51
ALDH1A1 P00352 4/20 0.51
LMNA P02545 3/20 0.51
TSHR P16473 4/20 0.50
CNR2 P34972 2/20 0.50
CNR1 P21554 1/20 0.50
HTT P42858 1/20 0.50
KMT2A Q03164 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
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
NPSR1 Q6W5P4 2/20 0.48
ATM Q13315 1/20 0.48
KDM4E B2RXH2 4/20 0.48
POLB P06746 2/20 0.48
CTDSP1 Q9GZU7 1/20 0.48

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
SCHEMBL4084306 0.84 CNR1 (0.69) MAPTALDH1A1LMNATSHRCNR2
SCHEMBL4084162 0.84 MAPT (0.72) MAPTALDH1A1LMNATSHRCNR2
SCHEMBL4080558 0.84 PTPN1 (0.67) ADORA1CNR2KMT2AGAAPTPRC
SCHEMBL4090889 0.81 MAPT (0.59) MAPTALDH1A1LMNATSHRCNR2
SCHEMBL4080930 0.81 CNR2 (0.69) MAPTALDH1A1LMNATSHRCNR2
SCHEMBL20915161 0.80 ADORA1 (0.60) ADORA1MAPTALDH1A1TSHRCNR2
SCHEMBL4085865 0.80 KDM4E (0.68) MAPTALDH1A1TSHRHTTKMT2A
SCHEMBL21253117 0.79 MAPT (0.61) ADORA1MAPTALDH1A1CNR2SMN1; SMN2
SCHEMBL4080594 0.79 ALDH1A1 (0.63) MAPTALDH1A1LMNATSHRHTT
SCHEMBL4086551 0.78 KMT2A (0.55) MAPTALDH1A1LMNATSHRCNR2

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 ADORA1 364/4885MAPT 2527/4885ALDH1A1 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.