SCHEMBL4094754

SCHEMBL4094754

Cc1sc(NC(=O)C2C(C)(C)C2(C)C)c(C(=O)NCCOC(C)C)c1C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.43
CYP1A2 P05177 2/20 0.43
CYP2D6 P10635 1/20 0.43
CNR2 P34972 3/20 0.43
HPGD P15428 2/20 0.40
MAPT P10636 5/20 0.40
RXFP1 Q9HBX9 1/20 0.40
KDM4E B2RXH2 4/20 0.40
POLB P06746 3/20 0.40
TDP1 Q9NUW8 2/20 0.40
LMNA P02545 1/20 0.40
THRB P10828 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
RPS6KB1 P23443 1/20 0.39
CDK2 P24941 1/20 0.39
MAPKAPK2 P49137 1/20 0.39
GSK3B P49841 1/20 0.39
RPS6KA3 P51812 1/20 0.39
MAPK1 P28482 1/20 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
SCHEMBL4085526 0.88 CNR2 (0.47) ALDH1A1CYP1A2CYP2D6CNR2HPGD
SCHEMBL4091396 0.85 CNR2 (0.46) ALDH1A1CYP1A2CYP2D6CNR2HPGD
SCHEMBL4086670 0.84 CNR2 (0.47) ALDH1A1CYP1A2CYP2D6CNR2HPGD
SCHEMBL4080663 0.82 TAS1R3 (0.43) ALDH1A1CYP1A2CYP2D6CNR2HPGD
SCHEMBL4090499 0.81 CNR2 (0.46) ALDH1A1CYP1A2CYP2D6CNR2HPGD
SCHEMBL4092577 0.81 CNR2 (0.51) ALDH1A1CYP1A2CYP2D6CNR2MAPT
SCHEMBL4091477 0.81 CNR2 (0.44) ALDH1A1CYP1A2CYP2D6CNR2HPGD
SCHEMBL4090413 0.81 NPC1 (0.55) ALDH1A1CYP1A2CYP2D6HPGDMAPT
SCHEMBL4080979 0.80 ALDH1A1 (0.60) ALDH1A1CYP1A2CNR2HPGDMAPT
SCHEMBL4091207 0.80 CNR2 (0.45) ALDH1A1CYP1A2CYP2D6CNR2HPGD

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 1504/4885CYP1A2 847/4885CYP2D6 1121/4885

“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.