SCHEMBL4081111

SCHEMBL4081111

O=C(c1cc(I)ccc1NC(=O)C12CC3CC(CC1C3)C2)N1CC(F)(F)C1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 3/20 0.46
CNR1 P21554 1/20 0.46
MAP2K2 P36507 11/20 0.36
MAP2K1 Q02750 11/20 0.36
EPHX2 P34913 1/20 0.36
P2RX7 Q99572 2/20 0.35
HSD11B1 P28845 1/20 0.34
ADORA1 P30542 1/20 0.34
PTPRC P08575 1/20 0.33
PTPN2 P17706 1/20 0.33
PTPN1 P18031 1/20 0.33
PTPRA P18433 1/20 0.33
PTPRB P23467 1/20 0.33
PTPRE P23469 1/20 0.33
PTPN6 P29350 1/20 0.33
CHRM2 P08172 1/20 0.33
CHRM1 P11229 1/20 0.33
BRAF P15056 1/20 0.33
DRD1 P21728 1/20 0.33
TBXA2R P21731 1/20 0.33

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
SCHEMBL3682652 0.88 CNR2 (0.47) CNR2CNR1EPHX2P2RX7HSD11B1
SCHEMBL3681720 0.88 CNR2 (0.48) CNR2CNR1EPHX2P2RX7ADORA1
SCHEMBL3685162 0.88 CNR2 (0.46) CNR2CNR1EPHX2P2RX7HSD11B1
SCHEMBL3685918 0.85 CNR2 (0.49) CNR2CNR1EPHX2P2RX7ADORA1
SCHEMBL3686465 0.84 CNR2 (0.51) CNR2CNR1EPHX2P2RX7HSD11B1
SCHEMBL4085490 0.83 CNR2 (0.46) CNR2CNR1P2RX7HSD11B1ADORA1
SCHEMBL3681392 0.83 CNR2 (0.48) CNR2CNR1EPHX2P2RX7HSD11B1
SCHEMBL3679392 0.82 CNR2 (0.47) CNR2CNR1P2RX7HSD11B1ADORA1
SCHEMBL4080509 0.81 CNR2 (0.46) CNR2CNR1EPHX2P2RX7ADORA1
SCHEMBL3692835 0.81 CNR2 (0.48) CNR2CNR1EPHX2P2RX7HSD11B1

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 1/4885MAP2K2 3309/4885

“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.