SCHEMBL4086033

SCHEMBL4086033

O=C(NCc1cccc(Cl)c1)c1c(NC(=O)C23CC4CC(CC2C4)C3)sc2c1CCCC2

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 5/20 0.65
CNR1 P21554 2/20 0.65
RORC P51449 4/20 0.51
RXFP1 Q9HBX9 1/20 0.49
KDM4E B2RXH2 1/20 0.48
ALDH1A1 P00352 1/20 0.48
HPGD P15428 1/20 0.48
MAPK1 P28482 1/20 0.48
RECQL P46063 1/20 0.48
HSD17B10 Q99714 1/20 0.48
AMY1A P0DUB6 2/20 0.48
MAPT P10636 3/20 0.47
MGAM O43451 2/20 0.47
NPC1 O15118 2/20 0.47
MEN1 O00255 1/20 0.47
POLB P06746 1/20 0.47
RAB9A P51151 1/20 0.47
KMT2A Q03164 1/20 0.47
FLT3 P36888 1/20 0.46
TP53 P04637 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
SCHEMBL3804398 1.00 CNR2 (0.65) CNR2CNR1RORCRXFP1KDM4E
SCHEMBL4085569 0.90 CNR2 (0.70) CNR2CNR1RORCKDM4EALDH1A1
SCHEMBL4085511 0.82 CNR2 (0.66) CNR2CNR1RORCRXFP1ALDH1A1
SCHEMBL4084841 0.80 CNR2 (0.65) CNR2CNR1KDM4EALDH1A1HPGD
SCHEMBL3690585 0.79 CNR2 (0.75) CNR2CNR1RORCAMY1AMAPT
SCHEMBL3808195 0.79 CNR2 (1.00) CNR2CNR1TP53
SCHEMBL4090619 0.79 CNR2 (1.00) CNR2CNR1TP53
SCHEMBL4091385 0.78 CNR2 (0.80) CNR2CNR1NPC1MEN1KMT2A
SCHEMBL4090041 0.78 CNR2 (0.98) CNR2CNR1TP53
SCHEMBL4091368 0.78 CNR2 (0.98) CNR2CNR1TP53

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 1/4885RORC 436/4885

“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.