SCHEMBL4080867

SCHEMBL4080867

CCCNC(=O)c1c(C)csc1NC(=O)C1C(C)(C)C1(C)C

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 6/20 0.52
CYP1A2 P05177 2/20 0.39
CYP2C9 P11712 1/20 0.39
RPS6KB1 P23443 1/20 0.37
CDK2 P24941 1/20 0.37
MAPKAPK2 P49137 1/20 0.37
GSK3B P49841 1/20 0.37
RPS6KA3 P51812 1/20 0.37
TP53 P04637 1/20 0.37
HPGD P15428 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CNR1 P21554 2/20 0.35
MAPK8 P45983 2/20 0.34
MAPK9 P45984 2/20 0.34
MAPK10 P53779 2/20 0.34
MAPT P10636 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
POLB P06746 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP3A4 P08684 1/20 0.32

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
SCHEMBL3801340 0.79 MAPT (0.39) CNR2RPS6KB1CDK2MAPKAPK2GSK3B
SCHEMBL3748506 0.79 RPS6KB1 (0.54) CYP1A2CYP2C9RPS6KB1CDK2MAPKAPK2
SCHEMBL4084751 0.78 CNR2 (0.58) CNR2CYP1A2RPS6KB1CDK2MAPKAPK2
SCHEMBL4096330 0.76 CNR2 (0.48) CNR2HPGDSMN1; SMN2MAPK10L3MBTL1
SCHEMBL27255192 0.75 MEN1 (0.53) CNR2CYP1A2CYP2C9TP53HPGD
SCHEMBL4084439 0.75 CNR2 (0.66) CNR2TP53HPGDSMN1; SMN2CNR1
SCHEMBL3808536 0.75 CNR2 (0.66) CNR2TP53HPGDSMN1; SMN2CNR1
SCHEMBL4086750 0.73 CNR2 (0.53) CNR2RPS6KB1CDK2MAPKAPK2GSK3B
SCHEMBL4095565 0.73 CNR2 (0.74) CNR2CYP1A2CYP2C9TP53CNR1
SCHEMBL4084167 0.73 CNR2 (0.74) CNR2CYP1A2CYP2C9TP53CNR1

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 2/4885CYP1A2 847/4885CYP2C9 1535/4885

“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.