SCHEMBL4090752

SCHEMBL4090752

O=C(c1cc(F)c(F)cc1NC(=O)C12CC3CC(CC(C3)O1)C2)N1CC(F)(F)C1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 6/20 0.38
CNR2 P34972 4/20 0.36
CNR1 P21554 2/20 0.36
ALDH1A1 P00352 1/20 0.35
PDE10A Q9Y233 1/20 0.33
TSHR P16473 1/20 0.32
SCN9A Q15858 2/20 0.32
RIPK1 Q13546 1/20 0.31
KCNQ3 O43525 1/20 0.31
KCNQ2 O43526 1/20 0.31
RAB9A P51151 1/20 0.31
KMT2A Q03164 1/20 0.31
MDM2 Q00987 1/20 0.31

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
SCHEMBL4084463 0.85 SERPINE1 (0.42) EPHX2CNR2CNR1ALDH1A1RAB9A
SCHEMBL4089688 0.82 GPR6 (0.34) EPHX2CNR2CNR1ALDH1A1TSHR
SCHEMBL3686465 0.82 CNR2 (0.51) EPHX2CNR2CNR1ALDH1A1PDE10A
SCHEMBL4080153 0.82 EPHX2 (0.44) EPHX2CNR2CNR1ALDH1A1PDE10A
SCHEMBL4090754 0.82 EPHX2 (0.36) EPHX2CNR2CNR1ALDH1A1SCN9A
SCHEMBL3679591 0.72 CNR2 (0.48) EPHX2CNR2CNR1ALDH1A1KMT2A
SCHEMBL4091419 0.70 CNR2 (0.74) CNR2CNR1
SCHEMBL4090110 0.70 CNR2 (0.59) CNR2CNR1ALDH1A1TSHR
SCHEMBL3679392 0.69 CNR2 (0.47) CNR2CNR1ALDH1A1PDE10ARAB9A
SCHEMBL3682652 0.69 CNR2 (0.47) EPHX2CNR2CNR1ALDH1A1PDE10A

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 EPHX2 656/4885CNR2 2/4885CNR1 1/4885

“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.