SCHEMBL4089688

SCHEMBL4089688

CS(=O)(=O)c1ccc(C(=O)N2CC(F)(F)C2)c(NC(=O)C23CC4CC(CC(C4)O2)C3)c1

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GPR6 P46095 1/20 0.34
EPHX2 P34913 4/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
SLC6A9 P48067 2/20 0.33
ALDH1A1 P00352 4/20 0.33
LMNA P02545 4/20 0.33
CLK1 P49759 1/20 0.33
MAPT P10636 1/20 0.32
KIF18A Q8NI77 1/20 0.32
CNR1 P21554 1/20 0.32
CNR2 P34972 1/20 0.32
CACNA1B Q00975 1/20 0.32
CHRNA7 P36544 1/20 0.32
TSHR P16473 1/20 0.32
ALOX12 P18054 1/20 0.32
HTT P42858 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32

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
SCHEMBL3686323 0.85 CNR2 (0.44) GPR6EPHX2SMN1; SMN2SLC6A9ALDH1A1
SCHEMBL4090752 0.82 EPHX2 (0.38) EPHX2ALDH1A1CNR1CNR2TSHR
SCHEMBL4084463 0.80 SERPINE1 (0.42) EPHX2SMN1; SMN2ALDH1A1LMNACNR1
SCHEMBL4080153 0.75 EPHX2 (0.44) EPHX2ALDH1A1CNR1CNR2
SCHEMBL3688775 0.71 CNR2 (0.46) EPHX2ALDH1A1LMNACNR1CNR2
SCHEMBL3679392 0.69 CNR2 (0.47) ALDH1A1MAPTCNR1CNR2
SCHEMBL4084846 0.69 ADORA1 (0.35) SMN1; SMN2ALDH1A1LMNACLK1MAPT
SCHEMBL4080014 0.68 CNR1 (0.44) SMN1; SMN2ALDH1A1LMNAMAPTCNR1
SCHEMBL8149507 0.68 CA9 (0.55) SMN1; SMN2ALDH1A1LMNACLK1CNR2
SCHEMBL3685304 0.67 CNR2 (0.45) EPHX2SMN1; SMN2ALDH1A1CNR1CNR2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090018114-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS ABBOTT LABORATORIES (US) 2009-01-15 US claimed
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 GPR6 37/4885EPHX2 656/4885SMN1; SMN2 3100/4885

“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.