SCHEMBL25339166

SCHEMBL25339166

Cn1c(=O)[nH]c2cccc(C3CN([C@@H]4CCN(C(=O)O)C[C@@H]4F)C3)c21

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 2/20 0.36
OPRM1 P35372 2/20 0.36
PLD1 Q13393 1/20 0.33
SSTR1 P30872 2/20 0.32
SSTR2 P30874 2/20 0.32
SSTR4 P31391 2/20 0.32
SSTR3 P32745 2/20 0.32
SSTR5 P35346 2/20 0.32
HTR1A P08908 1/20 0.32
DRD2 P14416 1/20 0.32
DRD4 P21917 1/20 0.32
HSD11B1 P28845 4/20 0.32
MGLL Q99685 1/20 0.32
CHRM1 P11229 2/20 0.31
CHRM2 P08172 1/20 0.31
CHRM4 P08173 1/20 0.31
CHRM5 P08912 1/20 0.31
CHRM3 P20309 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
SCHEMBL25340065 1.00 ADRB2 (0.36) ADRB2OPRM1PLD1SSTR1SSTR2
SCHEMBL30543657 0.87 PARP1 (0.38)
SCHEMBL25973486 0.87 PARP1 (0.38)
SCHEMBL25973456 0.87 PARP1 (0.38)
SCHEMBL25973458 0.87 PARP1 (0.38)
SCHEMBL30543650 0.87 PARP1 (0.38)
SCHEMBL25335842 0.85 ADRB2 (0.39) ADRB2OPRM1SSTR1SSTR2SSTR4
SCHEMBL25339124 0.85 ADRB2 (0.39) ADRB2OPRM1SSTR1SSTR2SSTR4
SCHEMBL25339428 0.79 ADRB2 (0.33) ADRB2OPRM1HSD11B1CHRM1CHRM2
SCHEMBL25338261 0.79 ADRB2 (0.33) ADRB2OPRM1HSD11B1CHRM1CHRM2

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 4472/4885PLD1 2664/4885

“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.