SCHEMBL4084530

SCHEMBL4084530

CC1(C)C(C(=O)Nc2sc3c(c2C(=O)NCc2cccnc2)CCOC3)C1(C)C

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 3/20 0.64
AMY1A P0DUB6 4/20 0.57
ALDH1A1 P00352 4/20 0.57
KDM4E B2RXH2 2/20 0.57
HPGD P15428 2/20 0.57
MAPK1 P28482 1/20 0.57
RECQL P46063 1/20 0.57
HSD17B10 Q99714 1/20 0.57
MGAM O43451 6/20 0.52
POLB P06746 2/20 0.52
PTK2B Q14289 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
MAPT P10636 6/20 0.51
TP53 P04637 1/20 0.51
NPSR1 Q6W5P4 2/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
LMNA P02545 1/20 0.50
USP36 Q9P275 1/20 0.50

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
SCHEMBL4085677 0.89 CNR2 (0.68) CNR2MGAMUSP36
SCHEMBL4089826 0.84 CNR2 (0.66) CNR2AMY1AMGAMUSP36
SCHEMBL4094482 0.80 CNR2 (0.84) CNR2
SCHEMBL4087139 0.78 CNR2 (0.84) CNR2
SCHEMBL4094976 0.78 CNR2 (1.00) CNR2TP53
SCHEMBL4090404 0.77 CNR2 (0.66) CNR2TP53
SCHEMBL4095551 0.77 CNR2 (0.81) CNR2MEN1KMT2A
SCHEMBL4086068 0.77 CNR2 (0.81) CNR2
SCHEMBL4080130 0.77 RORC (0.68) AMY1AALDH1A1KDM4EHPGDMAPK1
SCHEMBL4083894 0.76 CNR2 (0.73) CNR2

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 2/4885AMY1A 3374/4885ALDH1A1 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.