SCHEMBL4089760

SCHEMBL4089760

O=C(O)c1c(-c2ccco2)csc1NC(=O)C12CC3CC(CC1C3)C2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.46
MEN1 O00255 6/20 0.46
ALDH1A1 P00352 5/20 0.46
HSD17B10 Q99714 4/20 0.46
PKM P14618 3/20 0.46
POLB P06746 3/20 0.46
CNR2 P34972 6/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
TP53 P04637 2/20 0.45
TSHR P16473 2/20 0.45
USP2 O75604 1/20 0.45
HTT P42858 1/20 0.45
L3MBTL1 Q9Y468 4/20 0.41
TDP1 Q9NUW8 4/20 0.41
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
RECQL P46063 2/20 0.41
KDM4E B2RXH2 2/20 0.41
MAPT P10636 1/20 0.41
BLM P54132 1/20 0.41

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
SCHEMBL4084850 0.86 L3MBTL1 (0.56) KMT2AMEN1ALDH1A1HSD17B10PKM
SCHEMBL4092608 0.85 CNR2 (0.54) KMT2AMEN1ALDH1A1HSD17B10PKM
SCHEMBL3801843 0.85 CNR2 (0.62) KMT2AMEN1ALDH1A1HSD17B10PKM
SCHEMBL4091492 0.85 CNR2 (0.62) KMT2AMEN1ALDH1A1HSD17B10PKM
SCHEMBL4085564 0.82 MAPT (0.56) KMT2AMEN1ALDH1A1HSD17B10PKM
SCHEMBL3743041 0.78 CNR2 (0.46) CNR2MAPTADORA1EPHX2CNR1
SCHEMBL4086759 0.76 CNR2 (0.40) CNR2ADORA1CNR1
SCHEMBL3799426 0.76 CNR2 (0.40) CNR2ADORA1CNR1
SCHEMBL4096379 0.74 CNR2 (0.41) CNR2ADORA1CNR1
SCHEMBL3756414 0.72 CNR2 (0.64) KMT2AMEN1ALDH1A1POLBCNR2

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 KMT2A 2505/4885MEN1 3065/4885ALDH1A1 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.