SCHEMBL4090698

SCHEMBL4090698

COCCNC(=O)c1c(NC(=O)C2C(C)(C)C2(C)C)sc2ccccc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.50
MAPK1 P28482 3/20 0.50
HPGD P15428 3/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
NPC1 O15118 1/20 0.50
ALDH1A1 P00352 1/20 0.50
HTT P42858 1/20 0.50
RAB9A P51151 1/20 0.50
RPS6KB1 P23443 1/20 0.47
CDK2 P24941 1/20 0.47
MAPKAPK2 P49137 1/20 0.47
GSK3B P49841 1/20 0.47
RPS6KA3 P51812 1/20 0.47
TP53 P04637 1/20 0.45
CNR2 P34972 9/20 0.44
CNR1 P21554 3/20 0.43
KAT2A Q92830 1/20 0.42
KAT2B Q92831 1/20 0.42
ABL1 P00519 1/20 0.40
CYP1A2 P05177 1/20 0.40

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
SCHEMBL4084907 0.94 TP53 (0.45) KDM4EMAPK1HPGDSMN1; SMN2NPC1
SCHEMBL4091140 0.90 RPS6KB1 (0.49) KDM4EMAPK1HPGDSMN1; SMN2NPC1
SCHEMBL4086750 0.89 CNR2 (0.53) KDM4EHPGDSMN1; SMN2NPC1ALDH1A1
SCHEMBL4085796 0.89 RPS6KB1 (0.46) KDM4EMAPK1HPGDSMN1; SMN2NPC1
SCHEMBL4086640 0.87 RAB9A (0.48) HPGDSMN1; SMN2NPC1HTTRAB9A
SCHEMBL4094953 0.86 RPS6KB1 (0.50) RPS6KB1CDK2MAPKAPK2GSK3BRPS6KA3
SCHEMBL4090489 0.86 RPS6KB1 (0.44) SMN1; SMN2NPC1ALDH1A1RAB9ARPS6KB1
SCHEMBL4080303 0.85 RPS6KB1 (0.43) KDM4EHPGDSMN1; SMN2ALDH1A1RAB9A
SCHEMBL4080732 0.83 RPS6KB1 (0.45) KDM4ESMN1; SMN2ALDH1A1RPS6KB1CDK2
SCHEMBL4084437 0.81 RPS6KB1 (0.47) KDM4EMAPK1HPGDSMN1; SMN2NPC1

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 KDM4E 2443/4885MAPK1 2019/4885HPGD 1873/4885

“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.