SCHEMBL20550982

SCHEMBL20550982

COCc1nn(CC2CCOCC2)c(N)c1C#N

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE8B O95263 1/20 0.36
ALDH1A1 P00352 4/20 0.35
KDM4E B2RXH2 3/20 0.35
HPGD P15428 2/20 0.35
HSD17B10 Q99714 1/20 0.35
PKM P14618 1/20 0.34
CRHR1 P34998 1/20 0.33
BACE1 P56817 3/20 0.32
CTSD P07339 1/20 0.32
CTSE P14091 1/20 0.32
LMNA P02545 2/20 0.31
MAPK1 P28482 1/20 0.31
SLC16A3 O15427 1/20 0.31
SLC16A1 P53985 1/20 0.31
GAA P10253 1/20 0.31
MEN1 O00255 1/20 0.30
MAPT P10636 1/20 0.30
RAB9A P51151 1/20 0.30
KMT2A Q03164 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30

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
SCHEMBL20551518 0.89 ALDH1A1 (0.34) ALDH1A1KDM4EHPGDHSD17B10CRHR1
SCHEMBL20551656 0.77 SLC16A3 (0.38) PDE8BBACE1CTSDCTSELMNA
SCHEMBL20550869 0.76 GAA (0.38) ALDH1A1KDM4EHPGDHSD17B10LMNA
SCHEMBL20551843 0.72 KDM4E (0.35) ALDH1A1KDM4EHPGDHSD17B10LMNA
SCHEMBL20551346 0.70 GAA (0.33) ALDH1A1KDM4EHPGDHSD17B10GAA
SCHEMBL20552007 0.70 GAA (0.40) ALDH1A1KDM4EHPGDHSD17B10LMNA
SCHEMBL12335154 0.67 MEN1 (0.45) PDE8BCRHR1BACE1CTSDCTSE
SCHEMBL20551507 0.67 CNR1 (0.36) PDE8BCRHR1SLC16A3SLC16A1
SCHEMBL6194624 0.66 GAA (0.36) ALDH1A1KDM4EPKMLMNAMAPK1
SCHEMBL20551783 0.65 SRC (0.37) PDE8BBACE1CTSDCTSELMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200247800-A1 SUBSTITUTED BICYCLIC HETEROCYCLIC COMPOUNDS AS NADPH OXIDASE INHIBITORS GLENMARK PHARMACEUTICALS S.A. (CH) 2020-08-06 US disclosed
CN-110914263-A Substituted bicyclic heterocyclic compounds as NADPH oxidase inhibitors 格兰马克药品股份有限公司 2020-03-24 CN disclosed
EP-3619209-A1 SUBSTITUTED BICYCLIC HETEROCYCLIC COMPOUNDS AS NADPH OXIDASE INHIBITORS Glenmark Pharmaceuticals S.A. (CH) 2020-03-11 EP disclosed
WO-2018203298-A1 SUBSTITUTED BICYCLIC HETEROCYCLIC COMPOUNDS AS NADPH OXIDASE INHIBITORS GLENMARK PHARMACEUTICALS S.A. (CH) 2018-11-08 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-20200247800-A1 SUBSTITUTED BICYCLIC HETEROCYCLIC COMPOUNDS AS NADPH OXIDASE INHIBITORS NOX1, CYBB, NOX4 PDE8B 438/4885ALDH1A1 467/4885KDM4E 4117/4885

“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.