SCHEMBL4090464

SCHEMBL4090464

CCOC(=O)c1c(NC(=O)C2(C)CCCCC2)sc2c1CCOC2

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 3/20 0.53
CNR1 P21554 1/20 0.53
ALDH1A1 P00352 10/20 0.52
TSHR P16473 4/20 0.52
ALOX15 P16050 3/20 0.52
HSD17B10 Q99714 3/20 0.52
MAPK1 P28482 2/20 0.52
MAPT P10636 7/20 0.51
KDM4E B2RXH2 5/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
HPGD P15428 3/20 0.51
LMNA P02545 1/20 0.51
NPSR1 Q6W5P4 2/20 0.50
HTT P42858 1/20 0.50
KMT2A Q03164 1/20 0.50
GAA P10253 1/20 0.50
CYP1A2 P05177 1/20 0.49
USP2 O75604 1/20 0.48
PTGER2 P43116 1/20 0.48
TDP1 Q9NUW8 1/20 0.48

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
SCHEMBL4089799 0.85 PTPN1 (0.62) CNR2CNR1ALDH1A1SMN1; SMN2HPGD
SCHEMBL4090895 0.84 TLR2 (0.55) CNR2ALDH1A1TSHRALOX15HSD17B10
SCHEMBL4080930 0.83 CNR2 (0.69) CNR2CNR1ALDH1A1TSHRALOX15
SCHEMBL4091613 0.83 CNR2 (0.71) CNR2CNR1CYP1A2
SCHEMBL4085480 0.83 PDE4D (0.55) CNR2ALDH1A1TSHRALOX15HSD17B10
SCHEMBL5460524 0.82 ALDH1A1 (0.56) CNR2ALDH1A1TSHRALOX15HSD17B10
SCHEMBL4083898 0.82 TLR2 (0.53) CNR2CNR1ALDH1A1TSHRALOX15
SCHEMBL4091708 0.82 ALDH1A1 (0.55) ALDH1A1TSHRALOX15HSD17B10MAPK1
SCHEMBL4080908 0.82 TLR2 (0.50) CNR2CNR1ALDH1A1TSHRALOX15
SCHEMBL14300777 0.82 KMT2A (0.51) CNR2CNR1ALDH1A1TSHRALOX15

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 1/4885ALDH1A1 1504/4885

“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.