SCHEMBL4080663

SCHEMBL4080663

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 1/20 0.43
TAS1R1 Q7RTX1 1/20 0.43
TAS1R2 Q8TE23 1/20 0.43
CYP1A2 P05177 2/20 0.42
CYP2D6 P10635 1/20 0.42
CNR2 P34972 1/20 0.42
ALDH1A1 P00352 6/20 0.41
HPGD P15428 4/20 0.41
POLB P06746 3/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
MAPT P10636 4/20 0.39
LMNA P02545 2/20 0.39
MAPK1 P28482 2/20 0.39
PLA2G1B P04054 1/20 0.39
ATG4B Q9Y4P1 1/20 0.39
KDM4E B2RXH2 3/20 0.38
TDP1 Q9NUW8 1/20 0.38
TP53 P04637 1/20 0.38
MDM2 Q00987 1/20 0.38

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
SCHEMBL4080989 0.85 CNR2 (0.46) CYP1A2CYP2D6CNR2ALDH1A1HPGD
SCHEMBL4086554 0.83 CYP1A2 (0.50) CYP1A2CYP2D6ALDH1A1HPGDPOLB
SCHEMBL4084751 0.83 CNR2 (0.58) CYP1A2CYP2D6CNR2ALDH1A1HPGD
SCHEMBL4080979 0.83 ALDH1A1 (0.60) CYP1A2CNR2ALDH1A1HPGDPOLB
SCHEMBL4094754 0.82 ALDH1A1 (0.43) CYP1A2CYP2D6CNR2ALDH1A1HPGD
SCHEMBL4086545 0.82 CNR2 (0.42) CYP1A2CYP2D6CNR2ALDH1A1HPGD
SCHEMBL4092577 0.81 CNR2 (0.51) CYP1A2CYP2D6CNR2ALDH1A1POLB
SCHEMBL4080940 0.81 CNR2 (0.44) CYP1A2CYP2D6CNR2ALDH1A1HPGD
SCHEMBL4091334 0.81 ALDH1A1 (0.46) CYP1A2CNR2ALDH1A1HPGDPOLB
SCHEMBL4090499 0.81 CNR2 (0.46) CYP1A2CYP2D6CNR2ALDH1A1HPGD

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 TAS1R3 539/4885TAS1R1 501/4885TAS1R2 475/4885

“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.