SCHEMBL4083931

SCHEMBL4083931

O=C(c1cc(-c2ccccc2)sc1NC(=O)C12CC3CC(CC1C3)C2)N1CC(F)(F)C1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 3/20 0.53
CNR1 P21554 1/20 0.51
CHEK1 O14757 5/20 0.46
ABCC1 P33527 1/20 0.41
IKBKB O14920 1/20 0.39
JAK2 O60674 1/20 0.39
JAK3 P52333 1/20 0.39
ADORA1 P30542 1/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
NPSR1 Q6W5P4 2/20 0.39
MAPT P10636 1/20 0.39
PTPN5 P54829 1/20 0.39
KDM4E B2RXH2 1/20 0.38
MAP4K4 O95819 1/20 0.37

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
SCHEMBL4080798 0.86 ABCC1 (0.56) CNR2CNR1CHEK1ABCC1IKBKB
SCHEMBL3749679 0.85 CNR2 (0.62) CNR2CHEK1ABCC1IKBKBJAK2
SCHEMBL4093014 0.83 CNR2 (0.55) CNR2CNR1ADORA1
SCHEMBL4094982 0.81 CNR2 (0.53) CNR2CNR1
SCHEMBL4091024 0.79 CNR2 (0.55) CNR2CNR1ADORA1
SCHEMBL3685918 0.79 CNR2 (0.49) CNR2CNR1ADORA1RAB9ANPSR1
SCHEMBL4095727 0.78 CNR2 (0.64) CNR2RAB9ANPSR1MAPTKDM4E
SCHEMBL3800992 0.78 CNR2 (0.64) CNR2RAB9ANPSR1MAPTKDM4E
SCHEMBL3804151 0.77 ALOX15 (0.57) CNR2CNR1CHEK1
SCHEMBL4080887 0.77 ALOX15 (0.57) CNR2CNR1CHEK1

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 CNR2 2/4885CNR1 1/4885CHEK1 2624/4885

“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.