SCHEMBL4080798

SCHEMBL4080798

O=C(c1cc(-c2ccccc2)sc1NC(=O)C12CC3CC(CC1C3)C2)N1CCOCC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCC1 P33527 1/20 0.56
CNR2 P34972 4/20 0.54
CHEK1 O14757 4/20 0.49
EPHX2 P34913 1/20 0.43
CNR1 P21554 1/20 0.43
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
MAPT P10636 2/20 0.41
KDM4E B2RXH2 1/20 0.41
USP2 O75604 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HSD17B10 Q99714 1/20 0.41
TSHR P16473 2/20 0.40
HTT P42858 1/20 0.40
ALDH1A1 P00352 2/20 0.39
LMNA P02545 1/20 0.39
IKBKB O14920 1/20 0.39
JAK2 O60674 1/20 0.39
JAK3 P52333 1/20 0.39
ADORA1 P30542 1/20 0.38

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
SCHEMBL4083931 0.86 CNR2 (0.53) ABCC1CNR2CHEK1CNR1MAPT
SCHEMBL3749679 0.84 CNR2 (0.62) ABCC1CNR2CHEK1MAPTKDM4E
SCHEMBL4095727 0.77 CNR2 (0.64) CNR2MEN1KMT2AMAPTKDM4E
SCHEMBL3800992 0.77 CNR2 (0.64) CNR2MEN1KMT2AMAPTKDM4E
SCHEMBL4080887 0.77 ALOX15 (0.57) CNR2CHEK1CNR1
SCHEMBL3804151 0.77 ALOX15 (0.57) CNR2CHEK1CNR1
SCHEMBL4091079 0.76 CHEK1 (0.54) CNR2CHEK1CNR1
SCHEMBL3746177 0.75 CNR2 (0.51) ABCC1CNR2CHEK1EPHX2CNR1
SCHEMBL4090663 0.72 CNR2 (0.45) CNR2CNR1
SCHEMBL4086082 0.71 CNR2 (0.84) CNR2CNR1KMT2AKDM4EHSD17B10

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 ABCC1 2675/4885CNR2 2/4885CHEK1 2624/4885

“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.