SCHEMBL3647679

SCHEMBL3647679

CCOC(=O)c1cc(C(C)(C)C)sc1N

nearest known ligand 0.63

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 5/20 0.63
MAPK1 P28482 3/20 0.63
ALDH1A1 P00352 8/20 0.56
MAPT P10636 5/20 0.56
HSD17B10 Q99714 5/20 0.56
HPGD P15428 4/20 0.56
SMN1; SMN2 Q16637 3/20 0.56
RAB9A P51151 3/20 0.56
ALOX15 P16050 3/20 0.56
MEN1 O00255 3/20 0.56
KMT2A Q03164 3/20 0.56
NPC1 O15118 2/20 0.56
LMNA P02545 1/20 0.56
IKBKB O14920 2/20 0.46
FHIT P49789 1/20 0.45
RAF1 P04049 1/20 0.44
MAPK14 Q16539 1/20 0.44
TSHR P16473 1/20 0.43
KDM4E B2RXH2 3/20 0.43

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
SCHEMBL5128149 0.88 GAA (0.63) GAAMAPK1ALDH1A1MAPTHSD17B10
SCHEMBL12963136 0.82 GAA (0.69) GAAMAPK1ALDH1A1MAPTHSD17B10
SCHEMBL3206449 0.82 GAA (0.53) GAAMAPK1ALDH1A1MAPTHSD17B10
SCHEMBL69313 0.80 GAA (0.71) GAAMAPK1ALDH1A1MAPTHSD17B10
SCHEMBL1883586 0.78 MAPT (0.56) GAAMAPK1ALDH1A1MAPTHSD17B10
SCHEMBL1973680 0.78 GAA (1.00) GAAMAPK1ALDH1A1MAPTHSD17B10
SCHEMBL5123339 0.78 GAA (0.67) GAAMAPK1ALDH1A1MAPTHSD17B10
SCHEMBL12963135 0.77 GAA (0.61) GAAMAPK1ALDH1A1MAPTHSD17B10
SCHEMBL3552066 0.76 KMT2A (0.47) GAAMAPK1ALDH1A1MAPTHSD17B10
SCHEMBL3246252 0.76 IKBKB (0.46) GAAMAPK1ALDH1A1MAPTHPGD

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 4 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
EP-2176219-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS Abbott Laboratories (US) 2010-04-21 EP disclosed
WO-2009009550-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS ABBOTT LABORATORIES (US) 2009-01-15 WO 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 4164/4885MAPK1 2019/4885ALDH1A1 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.