SCHEMBL4085490

SCHEMBL4085490

O=C(c1cc2ccccc2cc1NC(=O)C12CC3CC(CC1C3)C2)N1CC(F)(F)C1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 7/20 0.46
CNR1 P21554 2/20 0.46
ADORA1 P30542 1/20 0.40
P2RX7 Q99572 1/20 0.37
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
RIPK1 Q13546 3/20 0.34
HSD11B1 P28845 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34

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
SCHEMBL3685918 0.87 CNR2 (0.49) CNR2CNR1ADORA1P2RX7MEN1
SCHEMBL3686465 0.86 CNR2 (0.51) CNR2CNR1ADORA1P2RX7KMT2A
SCHEMBL3679392 0.84 CNR2 (0.47) CNR2CNR1ADORA1P2RX7HSD11B1
SCHEMBL3682652 0.84 CNR2 (0.47) CNR2CNR1ADORA1P2RX7HSD11B1
SCHEMBL3692835 0.83 CNR2 (0.48) CNR2CNR1ADORA1P2RX7NPSR1
SCHEMBL3685162 0.83 CNR2 (0.46) CNR2CNR1ADORA1P2RX7HSD11B1
SCHEMBL4081111 0.83 CNR2 (0.46) CNR2CNR1ADORA1P2RX7HSD11B1
SCHEMBL3681720 0.83 CNR2 (0.48) CNR2CNR1ADORA1P2RX7NPSR1
SCHEMBL3688775 0.83 CNR2 (0.46) CNR2CNR1ADORA1P2RX7MEN1
SCHEMBL3679591 0.82 CNR2 (0.48) CNR2CNR1P2RX7MEN1KMT2A

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 CNR2 2/4885CNR1 1/4885ADORA1 364/4885

“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.