SCHEMBL4095620

SCHEMBL4095620

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

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 2/20 0.65
NPSR1 Q6W5P4 7/20 0.61
ALDH1A1 P00352 5/20 0.61
MAPT P10636 4/20 0.61
HPGD P15428 3/20 0.61
SMN1; SMN2 Q16637 3/20 0.61
TSHR P16473 2/20 0.61
HTT P42858 2/20 0.61
ALOX15 P16050 1/20 0.61
PKM P14618 1/20 0.58
BLM P54132 1/20 0.58
GPR55 Q9Y2T6 1/20 0.58
L3MBTL1 Q9Y468 2/20 0.58
KMT2A Q03164 2/20 0.58
TP53 P04637 2/20 0.58
MEN1 O00255 1/20 0.58
TDP1 Q9NUW8 1/20 0.58
ATM Q13315 1/20 0.57
PDE4D Q08499 3/20 0.56
ADORA3 P0DMS8 1/20 0.56

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
SCHEMBL13832372 0.88 ADORA1 (0.71) ADORA1NPSR1ALDH1A1MAPTHPGD
SCHEMBL24503623 0.85 ADORA1 (0.74) ADORA1NPSR1ALDH1A1MAPTHPGD
SCHEMBL6247827 0.85 ADORA1 (0.67) ADORA1NPSR1ALDH1A1MAPTHPGD
SCHEMBL4090884 0.84 ADORA1 (0.47) ADORA1NPSR1ALDH1A1MAPTHPGD
SCHEMBL4085865 0.83 KDM4E (0.68) NPSR1ALDH1A1MAPTHPGDSMN1; SMN2
SCHEMBL19475089 0.83 ADORA1 (0.65) ADORA1NPSR1ALDH1A1MAPTHPGD
SCHEMBL27418713 0.83 ADORA1 (0.56) ADORA1NPSR1ALDH1A1MAPTHPGD
SCHEMBL4090879 0.83 CNR2 (0.52) ADORA1ALDH1A1MAPTKDM4EHSD17B10
SCHEMBL4080594 0.82 ALDH1A1 (0.63) NPSR1ALDH1A1MAPTHPGDSMN1; SMN2
SCHEMBL27302179 0.82 ADORA1 (0.81) ADORA1NPSR1ALDH1A1MAPTHPGD

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 ADORA1 364/4885NPSR1 8/4885ALDH1A1 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.