SCHEMBL4080565

SCHEMBL4080565

CCCNC(=O)c1c(NC(=O)C2C(C)(C)C2(C)C)sc2c1C1CCN2CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 11/20 0.53
POLB P06746 2/20 0.43
KDM4E B2RXH2 2/20 0.43
HPGD P15428 2/20 0.43
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
HTT P42858 1/20 0.43
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
GAA P10253 1/20 0.41
CNR1 P21554 3/20 0.35
RXFP1 Q9HBX9 1/20 0.34
RPS6KB1 P23443 1/20 0.33
CDK2 P24941 1/20 0.33
MAPKAPK2 P49137 1/20 0.33
GSK3B P49841 1/20 0.33
RPS6KA3 P51812 1/20 0.33

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
SCHEMBL4090736 0.83 POLB (0.45) CNR2POLBKDM4EHPGDMEN1
SCHEMBL4085420 0.82 ALDH1A1 (0.62) POLBKDM4EHPGDMEN1ALDH1A1
SCHEMBL4090102 0.79 CNR2 (0.61) CNR2POLBKDM4EHPGDMEN1
SCHEMBL4080261 0.77 CNR2 (0.43) CNR2POLBKDM4EHPGDMEN1
SCHEMBL4084751 0.73 CNR2 (0.58) CNR2POLBKDM4EHPGDMEN1
SCHEMBL4095565 0.71 CNR2 (0.74) CNR2KDM4ECYP2C9KMT2ACNR1
SCHEMBL4084167 0.71 CNR2 (0.74) CNR2MEN1ALDH1A1CYP2C9KMT2A
SCHEMBL4084889 0.70 CNR2 (0.67) CNR2POLBCYP2C9CNR1RPS6KB1
SCHEMBL4080530 0.69 CNR2 (0.71) CNR2POLBHPGDALDH1A1CYP2C9
SCHEMBL2162602 0.69 CNR2 (0.59) CNR2POLBCYP2C9CNR1RPS6KB1

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 2/4885POLB 4721/4885KDM4E 2443/4885

“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.