SCHEMBL4086762

SCHEMBL4086762

CC(C)(C)OC(=O)N1CCc2c(sc(NC(=O)C34CC5CC(CC3C5)C4)c2C(=O)O)C1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 2/20 0.55
CNR2 P34972 8/20 0.54
CNR1 P21554 3/20 0.48
MAPT P10636 3/20 0.42
KDM4E B2RXH2 2/20 0.42
FABP4 P15090 1/20 0.42
FABP5 Q01469 1/20 0.42
PTPN2 P17706 1/20 0.41
PTPN1 P18031 1/20 0.41
ALDH1A1 P00352 1/20 0.41
GAA P10253 1/20 0.41
HSD17B10 Q99714 1/20 0.41
NPSR1 Q6W5P4 3/20 0.40
PKM P14618 1/20 0.40
BLM P54132 1/20 0.40
GPR55 Q9Y2T6 1/20 0.40
MKNK1 Q9BUB5 1/20 0.40
PTGER4 P35408 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL4091163 0.89 ADORA1 (0.58) ADORA1CNR2CNR1MAPTKDM4E
SCHEMBL4094958 0.88 CNR2 (0.73) ADORA1CNR2CNR1MAPTKDM4E
SCHEMBL4086647 0.82 CNR2 (0.54) ADORA1CNR2CNR1MAPTKDM4E
SCHEMBL13736559 0.81 ADORA1 (0.68) ADORA1MAPTKDM4EFABP4FABP5
SCHEMBL3640627 0.77 CNR2 (0.70) CNR2CNR1PTPN2PTPN1ALDH1A1
SCHEMBL4091403 0.76 CNR2 (0.69) CNR2CNR1MAPTPTPN2PTPN1
SCHEMBL4086532 0.76 CNR2 (0.69) CNR2CNR1MAPTPTPN2PTPN1
SCHEMBL27302182 0.74 ADORA1 (0.77) ADORA1MAPTKDM4EFABP4FABP5
SCHEMBL3642812 0.73 CNR2 (0.76) CNR2CNR1PTPN2PTPN1
SCHEMBL21260643 0.73 MEN1 (0.62) ADORA1CNR2CNR1MAPTKDM4E

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 364/4885CNR2 2/4885CNR1 1/4885

“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.