SCHEMBL4091477

SCHEMBL4091477

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.44
HPGD P15428 5/20 0.44
GAA P10253 2/20 0.43
TP53 P04637 1/20 0.43
KDM4E B2RXH2 3/20 0.42
ALDH1A1 P00352 3/20 0.42
HTT P42858 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
KMT2A Q03164 2/20 0.40
RPS6KB1 P23443 1/20 0.40
CDK2 P24941 1/20 0.40
MAPKAPK2 P49137 1/20 0.40
GSK3B P49841 1/20 0.40
RPS6KA3 P51812 1/20 0.40
MAPK1 P28482 1/20 0.40
MAPT P10636 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
MEN1 O00255 1/20 0.39
NPC1 O15118 1/20 0.39

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
SCHEMBL4091396 0.93 CNR2 (0.46) CNR2HPGDGAATP53KDM4E
SCHEMBL4086207 0.92 CNR2 (0.46) CNR2HPGDGAATP53KDM4E
SCHEMBL4085570 0.92 CNR2 (0.46) CNR2HPGDGAAKDM4EALDH1A1
SCHEMBL4084838 0.90 ALDH1A1 (0.49) CNR2HPGDKDM4EALDH1A1CYP1A2
SCHEMBL4092577 0.87 CNR2 (0.51) CNR2GAATP53KDM4EALDH1A1
SCHEMBL4080504 0.86 CNR2 (0.50) CNR2HPGDGAATP53KDM4E
SCHEMBL4080873 0.86 TSHR (0.44) CNR2HPGDKDM4EALDH1A1HTT
SCHEMBL4086670 0.85 CNR2 (0.47) CNR2HPGDGAAKDM4EALDH1A1
SCHEMBL4085526 0.85 CNR2 (0.47) CNR2HPGDKDM4EALDH1A1CYP1A2
SCHEMBL4090499 0.85 CNR2 (0.46) CNR2HPGDGAAKDM4EALDH1A1

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 CNR2 2/4885HPGD 1873/4885GAA 4164/4885

“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.