SCHEMBL25339489

SCHEMBL25339489

Cn1c(=O)[nH]c2cccc([C@H]3CCN(C(=O)O)C[C@@H]3O)c21

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 2/20 0.42
OPRM1 P35372 2/20 0.41
TDO2 P48775 1/20 0.35
ALDH1A1 P00352 2/20 0.35
HSD11B1 P28845 4/20 0.34
DAO P14920 1/20 0.33
SSTR1 P30872 2/20 0.33
SSTR2 P30874 2/20 0.33
SSTR4 P31391 2/20 0.33
SSTR3 P32745 2/20 0.33
SSTR5 P35346 2/20 0.33
HTR1A P08908 1/20 0.33
DRD2 P14416 1/20 0.33
DRD4 P21917 1/20 0.33
SLC6A3 Q01959 1/20 0.33
SLC18A2 Q05940 1/20 0.33
MAPK1 P28482 1/20 0.33

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
SCHEMBL25339124 0.88 ADRB2 (0.39) ADRB2OPRM1ALDH1A1HSD11B1SSTR1
SCHEMBL25335842 0.88 ADRB2 (0.39) ADRB2OPRM1ALDH1A1HSD11B1SSTR1
SCHEMBL25339597 0.86 PARP1 (0.41) ADRB2OPRM1
SCHEMBL30543622 0.86 PARP1 (0.41) ADRB2OPRM1
SCHEMBL25339166 0.77 ADRB2 (0.36) ADRB2OPRM1HSD11B1SSTR1SSTR2
SCHEMBL25340065 0.77 ADRB2 (0.36) ADRB2OPRM1HSD11B1SSTR1SSTR2
SCHEMBL25339082 0.77 ADRB2 (0.37) ADRB2OPRM1ALDH1A1HSD11B1DAO
SCHEMBL25339786 0.76 ADRB2 (0.39) ADRB2OPRM1HSD11B1DAOHTR1A
SCHEMBL25339303 0.74 PARP1 (0.40)
SCHEMBL31314088 0.74 PARP1 (0.40)

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 4472/4885TDO2 2156/4885

“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.