SCHEMBL4095706

SCHEMBL4095706

CCOC(=O)c1c(-c2cccs2)csc1NC(=O)C12CC3CC(CC1C3)C2

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 5/20 0.64
POLB P06746 2/20 0.64
KDM4E B2RXH2 8/20 0.61
NPSR1 Q6W5P4 8/20 0.61
HPGD P15428 8/20 0.61
HTT P42858 2/20 0.61
LMNA P02545 1/20 0.61
ALDH1A1 P00352 7/20 0.60
SMN1; SMN2 Q16637 3/20 0.60
TDP1 Q9NUW8 3/20 0.60
HSD17B10 Q99714 4/20 0.58
HIF1A Q16665 2/20 0.58
PPARG P37231 1/20 0.58
NCOA2 Q15596 1/20 0.58
NCOA1 Q15788 1/20 0.58
TSHR P16473 3/20 0.56
PKM P14618 3/20 0.53
MAPT P10636 6/20 0.52
GAA P10253 1/20 0.52
KEAP1 Q14145 1/20 0.52

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
SCHEMBL3756414 0.87 CNR2 (0.64) POLBKDM4ENPSR1HPGDHTT
SCHEMBL4085564 0.85 MAPT (0.56) TP53POLBKDM4ENPSR1HPGD
SCHEMBL4084850 0.84 L3MBTL1 (0.56) TP53POLBKDM4ENPSR1HPGD
SCHEMBL4083976 0.84 CNR2 (0.55) TP53POLBKDM4ENPSR1HPGD
SCHEMBL4084849 0.83 CNR2 (0.51) TP53POLBNPSR1ALDH1A1MAPT
SCHEMBL3797476 0.83 CNR2 (0.51) TP53POLBNPSR1ALDH1A1MAPT
SCHEMBL3813611 0.80 MAPK8 (0.56) KDM4ENPSR1HPGDLMNAALDH1A1
SCHEMBL4085846 0.80 MAPK8 (0.56) KDM4ENPSR1HPGDLMNAALDH1A1
SCHEMBL4080526 0.78 MAPK8 (0.52) POLBKDM4ENPSR1HPGDLMNA
SCHEMBL2989566 0.76 TP53 (0.77) TP53POLBKDM4ENPSR1HPGD

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 TP53 4856/4885POLB 4721/4885KDM4E 2443/4885

“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.