SCHEMBL4095547

SCHEMBL4095547

C=CCNC(=O)c1c(NC(=O)C2C(C)(C)C2(C)C)sc2c1CCCC2

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.55
CNR2 P34972 6/20 0.54
CYP1A2 P05177 1/20 0.53
CYP2C9 P11712 1/20 0.53
CNR1 P21554 3/20 0.53
KDM4E B2RXH2 2/20 0.46
MAPT P10636 1/20 0.46
HSD17B10 Q99714 1/20 0.46
FLT3 P36888 1/20 0.46
ALDH1A1 P00352 2/20 0.44
TP53 P04637 1/20 0.44
ANO1 Q5XXA6 1/20 0.44
KIF11 P52732 1/20 0.44
REV1 Q9UBZ9 1/20 0.44

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
SCHEMBL4085782 0.86 CYP1A2 (0.71) CNR2CYP1A2CYP2C9CNR1KDM4E
SCHEMBL4084167 0.84 CNR2 (0.74) CNR2CYP1A2CYP2C9CNR1ALDH1A1
SCHEMBL4090251 0.84 CNR2 (0.62) CNR2CYP1A2CYP2C9CNR1KDM4E
SCHEMBL4080576 0.83 KIF11 (0.63) CNR2CYP1A2CYP2C9CNR1KDM4E
SCHEMBL4091289 0.83 CNR2 (0.55) GAACNR2CYP1A2CYP2C9CNR1
SCHEMBL4079868 0.82 CNR2 (0.66) CNR2CYP1A2CYP2C9CNR1KDM4E
SCHEMBL4091312 0.82 CNR2 (0.77) CNR2CYP1A2CYP2C9CNR1KDM4E
SCHEMBL4094737 0.82 ATM (0.55) CNR2CYP1A2CYP2C9CNR1KDM4E
SCHEMBL4095565 0.82 CNR2 (0.74) CNR2CYP1A2CYP2C9CNR1KDM4E
SCHEMBL4080819 0.81 KMT2A (0.60) CNR2CYP1A2CYP2C9CNR1KDM4E

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 GAA 4164/4885CNR2 2/4885CYP1A2 847/4885

“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.