SCHEMBL4085865

SCHEMBL4085865

CCOC(=O)c1c(NC(=O)C2C(C)(C)C2(C)C)sc2c1CCN(C)C2

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.68
L3MBTL1 Q9Y468 3/20 0.68
ALDH1A1 P00352 8/20 0.64
KMT2A Q03164 7/20 0.64
NPSR1 Q6W5P4 5/20 0.64
GAA P10253 3/20 0.64
POLB P06746 1/20 0.64
MEN1 O00255 5/20 0.63
TSHR P16473 3/20 0.63
CASP1 P29466 2/20 0.63
HSD17B10 Q99714 2/20 0.63
CASP7 P55210 1/20 0.63
MAPT P10636 6/20 0.62
HPGD P15428 2/20 0.62
ALOX15 P16050 2/20 0.59
HBB P68871 1/20 0.59
TDP1 Q9NUW8 1/20 0.56
TP53 P04637 1/20 0.56
RXFP1 Q9HBX9 1/20 0.56
HTT P42858 1/20 0.55

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
SCHEMBL4090478 0.89 KDM4E (0.54) KDM4EL3MBTL1ALDH1A1KMT2ANPSR1
SCHEMBL4080594 0.88 ALDH1A1 (0.63) KDM4EL3MBTL1ALDH1A1KMT2ANPSR1
SCHEMBL4084489 0.87 KDM4E (0.53) KDM4EL3MBTL1ALDH1A1KMT2ANPSR1
SCHEMBL4085554 0.85 ALDH1A1 (0.52) KDM4EL3MBTL1ALDH1A1KMT2ANPSR1
SCHEMBL4085518 0.83 ALDH1A1 (0.51) KDM4EL3MBTL1ALDH1A1KMT2ANPSR1
SCHEMBL4095620 0.83 ADORA1 (0.65) KDM4EL3MBTL1ALDH1A1KMT2ANPSR1
SCHEMBL4084306 0.83 CNR1 (0.69) KDM4EALDH1A1NPSR1GAAPOLB
SCHEMBL4084162 0.83 MAPT (0.72) KDM4EALDH1A1KMT2ANPSR1GAA
SCHEMBL4084442 0.82 KDM4E (0.70) KDM4EL3MBTL1ALDH1A1KMT2AGAA
SCHEMBL4080930 0.81 CNR2 (0.69) KDM4EALDH1A1KMT2ANPSR1GAA

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 2443/4885L3MBTL1 3623/4885ALDH1A1 1504/4885

“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.