SCHEMBL4084181

SCHEMBL4084181

O=C(NC1CCCCC1O)c1c(NC(=O)C23CC4C[C@@H](C[C@@H]2C4)C3)sc2c1CCOC2

nearest known ligand 0.68

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 15/20 0.68
CNR1 P21554 4/20 0.66
PTPRC P08575 1/20 0.39
PTPN2 P17706 1/20 0.39
PTPN1 P18031 1/20 0.39
PTPRB P23467 1/20 0.39
PTPRE P23469 1/20 0.39
ANO1 Q5XXA6 2/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37
HPGD P15428 1/20 0.37
ALOX15 P16050 1/20 0.37
HSD17B10 Q99714 1/20 0.37
CFTR P13569 1/20 0.36

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
SCHEMBL4080616 1.00 CNR2 (0.68) CNR2CNR1PTPRCPTPN2PTPN1
SCHEMBL4084186 1.00 CNR2 (0.68) CNR2CNR1PTPRCPTPN2PTPN1
SCHEMBL4080606 1.00 CNR2 (0.68) CNR2CNR1PTPRCPTPN2PTPN1
SCHEMBL4080610 1.00 CNR2 (0.68) CNR2CNR1PTPRCPTPN2PTPN1
SCHEMBL4090651 0.98 CNR2 (0.68) CNR2CNR1PTPRCPTPN2PTPN1
SCHEMBL4090655 0.98 CNR2 (0.68) CNR2CNR1PTPRCPTPN2PTPN1
SCHEMBL4080922 0.90 CNR2 (0.69) CNR2CNR1PTPRCPTPN2PTPN1
SCHEMBL3685164 0.90 CNR2 (0.69) CNR2CNR1PTPRCPTPN2PTPN1
SCHEMBL4080924 0.90 CNR2 (0.69) CNR2CNR1PTPRCPTPN2PTPN1
SCHEMBL3685160 0.90 CNR2 (0.69) CNR2CNR1PTPRCPTPN2PTPN1

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-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 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 1/4885PTPRC 1716/4885

“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.