SCHEMBL4090770

SCHEMBL4090770

CC(C)COC(=O)c1c(N)sc2c1CCOC2

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.49
MAPT P10636 9/20 0.49
HPGD P15428 6/20 0.49
GAA P10253 6/20 0.49
HSD17B10 Q99714 4/20 0.49
KDM4E B2RXH2 4/20 0.49
ALOX15 P16050 3/20 0.49
MAPK1 P28482 1/20 0.49
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
SMN1; SMN2 Q16637 1/20 0.46
ADORA1 P30542 4/20 0.45
TSHR P16473 1/20 0.44
ALOX12 P18054 1/20 0.44
CFTR P13569 1/20 0.40
PTPRC P08575 1/20 0.39
PTPN2 P17706 1/20 0.39
PTPN1 P18031 1/20 0.39
PTPRB P23467 1/20 0.39
PTPRE P23469 1/20 0.39

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
SCHEMBL3495630 0.86 MAPT (0.67) ALDH1A1MAPTHPGDGAAHSD17B10
SCHEMBL4094497 0.84 MAPT (0.68) ALDH1A1MAPTHPGDGAAHSD17B10
SCHEMBL3761338 0.83 HSD17B10 (0.67) ALDH1A1MAPTHPGDGAAHSD17B10
SCHEMBL3758303 0.82 ALDH1A1 (0.72) ALDH1A1MAPTHPGDGAAHSD17B10
SCHEMBL6315716 0.78 CXCR2 (0.54) ALDH1A1MAPTHPGDGAAHSD17B10
SCHEMBL15199361 0.77 PTPRC (0.47) ALDH1A1MAPTHPGDGAAHSD17B10
SCHEMBL8203239 0.76 MAPT (0.72) ALDH1A1MAPTHPGDGAAHSD17B10
SCHEMBL13768570 0.75 MAPT (0.67) ALDH1A1MAPTHPGDGAAHSD17B10
SCHEMBL3452996 0.75 ALDH1A1 (0.60) ALDH1A1MAPTHPGDGAAHSD17B10
SCHEMBL3500340 0.75 PTPRC (0.58) ALDH1A1MAPTHPGDGAAHSD17B10

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 ALDH1A1 1504/4885MAPT 2527/4885HPGD 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.