SCHEMBL22845204

SCHEMBL22845204

COc1ccc(CN2CCc3c(n4ncc(C)c4n(-c4ccccc4)c3=O)C2)cc1OC

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GNRHR P30968 3/20 0.44
MAPT P10636 2/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
HTT P42858 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
TAAR1 Q96RJ0 1/20 0.43
TP53 P04637 2/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
FAAH O00519 1/20 0.42
GAA P10253 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
ACHE P22303 1/20 0.41

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
SCHEMBL22845483 0.89 GNRHR (0.44) GNRHRMAPTKDM4EALDH1A1HTT
SCHEMBL22845227 0.89 GNRHR (0.44) GNRHRMAPTKDM4EALDH1A1HTT
SCHEMBL22845403 0.89 TP53 (0.45) GNRHRMAPTALDH1A1NPSR1TP53
SCHEMBL22845269 0.85 GNRHR (0.43) GNRHRALDH1A1TP53MEN1KMT2A
SCHEMBL22845374 0.84 GNRHR (0.45) GNRHRMAPTKDM4EALDH1A1HTT
SCHEMBL22845396 0.83 GNRHR (0.44) GNRHRMAPTKDM4EALDH1A1HTT
SCHEMBL22845489 0.80 GNRHR (0.44) GNRHRMAPTKDM4EALDH1A1HTT
SCHEMBL24470066 0.76 ALDH1A1 (0.39) MAPTKDM4EALDH1A1MEN1KMT2A
SCHEMBL22845307 0.76 CLPP (0.47) GNRHRMAPTKDM4EALDH1A1HTT
SCHEMBL13329204 0.69 MEN1 (0.44) MAPTKDM4EALDH1A1HTTNPSR1

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 2198/4885MAPT 651/4885KDM4E 4358/4885
US-11136321-B2 Tricyclic compounds SLC10A1, PKD1, CEL GNRHR 2198/4885MAPT 651/4885KDM4E 4358/4885
US-20200407361-A1 TRICYCLIC COMPOUNDS SLC10A1, PKD1, CEL GNRHR 2198/4885MAPT 651/4885KDM4E 4358/4885

“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.