SCHEMBL5083476

SCHEMBL5083476

NC(=O)c1cccnc1C1CCOCC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 3/20 0.46
PARP1 P09874 1/20 0.44
CYP11B1 P15538 1/20 0.42
CYP11B2 P19099 1/20 0.42
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
HSD17B10 Q99714 1/20 0.41
MAPK1 P28482 1/20 0.41
PDE10A Q9Y233 3/20 0.40
MAPT P10636 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
NPC1 O15118 1/20 0.40
AHR P35869 1/20 0.40
RAB9A P51151 1/20 0.40
GCK P35557 1/20 0.40
DDB1 Q16531 1/20 0.40
CRBN Q96SW2 1/20 0.40
HTT P42858 1/20 0.40
KCNH2 Q12809 1/20 0.39

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
SCHEMBL28837053 0.91 PARP1 (0.42) OPRL1PARP1CYP11B1CYP11B2KDM4E
SCHEMBL2395933 0.89 PARP1 (0.50) OPRL1PARP1KDM4EALDH1A1HPGD
SCHEMBL2428000 0.88 OPRL1 (0.42) OPRL1MAPK1PDE10AHSD11B1
SCHEMBL22717407 0.86 KDM4E (0.47) OPRL1KDM4EALDH1A1HSD17B10PDE10A
SCHEMBL29574495 0.86 KDM4E (0.47) OPRL1KDM4EALDH1A1HSD17B10PDE10A
SCHEMBL3427967 0.86 PARP1 (0.47) PARP1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL3427703 0.86 PARP1 (0.47) PARP1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL1116651 0.84 PARP1 (0.46) OPRL1PARP1CYP11B1CYP11B2KDM4E
SCHEMBL4414124 0.84 PARP1 (0.46) PARP1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL29908356 0.84 PARP1 (0.46) PARP1KDM4EALDH1A1HPGDHSD17B10

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4021893-A1 PERK INHIBITING COMPOUNDS Hibercell, Inc. (US) 2022-07-06 EP claimed
WO-2021041973-A1 PERK INHIBITING COMPOUNDS HIBERCELL, INC. (US) 2021-03-04 WO claimed
EP-2649064-A1 NOVEL TRIAZOLE COMPOUNDS III F. Hoffmann-La Roche AG (CH) 2013-10-16 EP claimed
WO-2012076590-A1 NOVEL TRIAZOLE COMPOUNDS III F. HOFFMANN-LA ROCHE AG (CH) 2012-06-14 WO claimed
EP-3551627-B1 NEW ISOXAZOLYL ETHER DERIVATIVES AS GABA A ALPHA5 PAM HOFFMANN LA ROCHE (CH) 2022-02-16 EP disclosed
EP-2575455-A2 METHODS AND COMPOSITIONS FOR TREATING A SUBJECT FOR CENTRAL NERVOUS SYSTEM (CNS) INJURY The Regents of the University of California (US) 2013-04-10 EP disclosed
WO-2011153377-A2 METHODS AND COMPOSITIONS FOR TREATING A SUBJECT FOR CENTRAL NERVOUS SYSTEM (CNS) INJURY THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2011-12-08 WO disclosed
US-20080132505-A1 Combination Of Cb2 Modulators And Pde4 Inhibitors For Use In Medicine GLAXO GROUP LIMITED 2008-06-05 US disclosed
EP-1565442-A1 PYRIDINE DERIVATIVES AS CB2 RECEPTOR MODULATORS GLAXO GROUP LIMITED (GB) 2005-08-24 EP disclosed
WO-2004029026-A1 PYRIDINE DERIVATIVES AS CB2 RECEPTOR MODULATORS GLAXO GROUP LIMITED (GB) 2004-04-08 WO 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-20080132505-A1 Combination Of Cb2 Modulators And Pde4 Inhibitors For Use In Medicine CNR2, CNR1, PDE4A OPRL1 131/4885PARP1 1616/4885CYP11B1 176/4885

“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.