SCHEMBL22845396

SCHEMBL22845396

COc1ccc(CN2CCc3c(n4nc(C)cc4n(-c4ccccc4)c3=O)C2)cc1OC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GNRHR P30968 3/20 0.44
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
HTT P42858 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
TAAR1 Q96RJ0 1/20 0.41
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
GAA P10253 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
ACHE P22303 1/20 0.40
PDE4A P27815 1/20 0.39
PDE4B Q07343 1/20 0.39
PDE4C Q08493 1/20 0.39
PDE4D Q08499 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
MAPK1 P28482 1/20 0.39
HSD17B10 Q99714 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
SCHEMBL22845489 0.89 GNRHR (0.44) GNRHRKDM4EALDH1A1MAPTHTT
SCHEMBL22845374 0.87 GNRHR (0.45) GNRHRKDM4EALDH1A1MAPTHTT
SCHEMBL22845204 0.83 GNRHR (0.44) GNRHRKDM4EALDH1A1MAPTHTT
SCHEMBL22845483 0.80 GNRHR (0.44) GNRHRKDM4EALDH1A1MAPTHTT
SCHEMBL22845227 0.80 GNRHR (0.44) GNRHRKDM4EALDH1A1MAPTHTT
SCHEMBL22845403 0.78 TP53 (0.45) GNRHRALDH1A1MAPTNPSR1MEN1
SCHEMBL22845307 0.76 CLPP (0.47) GNRHRKDM4EALDH1A1MAPTHTT
SCHEMBL22845269 0.76 GNRHR (0.43) GNRHRALDH1A1MEN1KMT2AGAA
SCHEMBL13329204 0.70 MEN1 (0.44) KDM4EALDH1A1MAPTHTTNPSR1
SCHEMBL22845398 0.69 GNRHR (0.40) GNRHRKDM4EALDH1A1MAPTNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220000874-A1 TRICYCLIC COMPOUNDS ALIGOS THERAPEUTICS, INC. 2022-01-06 US disclosed
US-11136321-B2 Tricyclic compounds ALIGOS THERAPEUTICS, INC. (US) 2021-10-05 US disclosed
US-20200407361-A1 TRICYCLIC COMPOUNDS ALIGOS THERAPEUTICS, INC. 2020-12-31 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 (3 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-20220000874-A1 TRICYCLIC COMPOUNDS SLC10A1, PKD1, CEL GNRHR 2198/4885KDM4E 4358/4885ALDH1A1 648/4885
US-11136321-B2 Tricyclic compounds SLC10A1, PKD1, CEL GNRHR 2198/4885KDM4E 4358/4885ALDH1A1 648/4885
US-20200407361-A1 TRICYCLIC COMPOUNDS SLC10A1, PKD1, CEL GNRHR 2198/4885KDM4E 4358/4885ALDH1A1 648/4885

“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.