SCHEMBL25339786

SCHEMBL25339786

Cn1c(=O)[nH]c2cccc(C3CCC3C(=O)O)c21

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 2/20 0.39
OPRM1 P35372 2/20 0.38
DAO P14920 2/20 0.38
ADORA1 P30542 2/20 0.36
ADORA3 P0DMS8 1/20 0.36
ADORA2A P29274 1/20 0.36
ADORA2B P29275 1/20 0.36
LMNA P02545 1/20 0.35
HSD11B1 P28845 2/20 0.35
HTR1A P08908 3/20 0.34
DRD2 P14416 2/20 0.34
DRD3 P35462 2/20 0.34

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
SCHEMBL25339372 0.81 DAO (0.38) ADRB2OPRM1DAOADORA1ADORA3
SCHEMBL13015491 0.78 ADORA3 (0.44) ADRB2OPRM1DAOADORA1ADORA3
SCHEMBL25339489 0.76 ADRB2 (0.42) ADRB2OPRM1DAOHSD11B1HTR1A
SCHEMBL31342372 0.76 ADRB2 (0.42) ADRB2OPRM1DAOADORA1ADORA3
SCHEMBL25335842 0.76 ADRB2 (0.39) ADRB2OPRM1LMNAHSD11B1HTR1A
SCHEMBL25339124 0.76 ADRB2 (0.39) ADRB2OPRM1LMNAHSD11B1HTR1A
SCHEMBL31069545 0.75 ADRB2 (0.43) ADRB2OPRM1DAOADORA1ADORA3
SCHEMBL25339082 0.73 ADRB2 (0.37) ADRB2OPRM1DAOHSD11B1
SCHEMBL30392630 0.73 HTR2C (0.45) ADRB2OPRM1DAOADORA1ADORA3
SCHEMBL25336097 0.72 LMNA (0.44) ADRB2OPRM1DAOADORA1ADORA3

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-20230365562-A1 IRAK DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. 2023-11-16 US disclosed
WO-2023147594-A2 IRAK DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. (US) 2023-08-03 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-20230365562-A1 IRAK DEGRADERS AND USES THEREOF IRAK2, IRAK3, IRAK1 ADRB2 4578/4885OPRM1 4472/4885DAO 2162/4885

“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.