SCHEMBL4091708

SCHEMBL4091708

CCOC(=O)c1c(NC(=O)C2(c3ccc(OC)cc3)CCCCC2)sc2c1CCOC2

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.55
HTT P42858 1/20 0.55
NPSR1 Q6W5P4 4/20 0.54
LMNA P02545 2/20 0.54
TDP1 Q9NUW8 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
POLB P06746 2/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
GAA P10253 1/20 0.51
MAPT P10636 6/20 0.51
KDM4E B2RXH2 4/20 0.51
HPGD P15428 3/20 0.51
TSHR P16473 3/20 0.47
HSD17B10 Q99714 4/20 0.47
TP53 P04637 1/20 0.47
ALOX15 P16050 2/20 0.47
MAPK1 P28482 2/20 0.47
USP2 O75604 1/20 0.46
PTGER2 P43116 1/20 0.46

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
SCHEMBL4083898 0.91 TLR2 (0.53) ALDH1A1NPSR1LMNATDP1SMN1; SMN2
SCHEMBL4090895 0.91 TLR2 (0.55) ALDH1A1NPSR1LMNATDP1SMN1; SMN2
SCHEMBL4085480 0.90 PDE4D (0.55) ALDH1A1NPSR1LMNATDP1SMN1; SMN2
SCHEMBL4091378 0.84 MAPT (0.47) ALDH1A1NPSR1LMNATDP1SMN1; SMN2
SCHEMBL4080908 0.83 TLR2 (0.50) ALDH1A1NPSR1LMNATDP1SMN1; SMN2
SCHEMBL4090464 0.82 CNR2 (0.53) ALDH1A1HTTNPSR1LMNATDP1
SCHEMBL4090883 0.77 RAB7A (0.57) ALDH1A1LMNATDP1SMN1; SMN2POLB
SCHEMBL4085581 0.77 PTPRC (0.54) ALDH1A1LMNASMN1; SMN2MAPTL3MBTL1
SCHEMBL4090091 0.76 CNR2 (0.60) TP53
SCHEMBL4091407 0.76 PTPRC (0.58) ALDH1A1LMNATDP1SMN1; SMN2POLB

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 ALDH1A1 1504/4885HTT 3826/4885NPSR1 8/4885

“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.