SCHEMBL25339082

SCHEMBL25339082

Cn1c(=O)[nH]c2cccc(C3CCN(C(=O)O)C(C(C)(C)C)C3O)c21

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 2/20 0.37
OPRM1 P35372 2/20 0.37
HSD11B1 P28845 3/20 0.34
DAO P14920 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
PMP22 Q01453 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31

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
SCHEMBL25339489 0.77 ADRB2 (0.42) ADRB2OPRM1HSD11B1DAOALDH1A1
SCHEMBL25339124 0.74 ADRB2 (0.39) ADRB2OPRM1HSD11B1ALDH1A1
SCHEMBL25335842 0.74 ADRB2 (0.39) ADRB2OPRM1HSD11B1ALDH1A1
SCHEMBL25339786 0.73 ADRB2 (0.39) ADRB2OPRM1HSD11B1DAO
SCHEMBL2242113 0.72 RIPK1 (0.48)
SCHEMBL30543622 0.72 PARP1 (0.41) ADRB2OPRM1KDM4E
SCHEMBL25339597 0.72 PARP1 (0.41) ADRB2OPRM1KDM4E
SCHEMBL31211804 0.72 DDB1 (0.38) ADRB2OPRM1HSD11B1ALDH1A1
SCHEMBL25339372 0.69 DAO (0.38) ADRB2OPRM1DAO
SCHEMBL25339303 0.69 PARP1 (0.40) KDM4E

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 4472/4885HSD11B1 2834/4885

“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.