SCHEMBL23945977

SCHEMBL23945977

CC(C)(C)C(=O)N1CCC2(CC1)CC(CN)C2

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.36
EPHX2 P34913 1/20 0.36
CHRM2 P08172 2/20 0.36
CHRM1 P11229 2/20 0.36
CHRM3 P20309 2/20 0.36
ALDH1A1 P00352 1/20 0.35
HTT P42858 1/20 0.35
GPR119 Q8TDV5 5/20 0.35
OPRD1 P41143 1/20 0.34
NAMPT P43490 3/20 0.33
AOC2 O75106 1/20 0.33
CNR2 P34972 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL25904177 0.85 CYP3A4 (0.37) CYP3A4EPHX2CHRM2CHRM1CHRM3
SCHEMBL25904083 0.81 GPR119 (0.38) CYP3A4EPHX2CHRM2CHRM1CHRM3
SCHEMBL2195346 0.80 GPR119 (0.53) EPHX2GPR119NAMPT
SCHEMBL9994188 0.80 PLG (0.34) CHRM2CHRM1CHRM3GPR119NAMPT
SCHEMBL25730183 0.79 OPRM1 (0.41) EPHX2ALDH1A1OPRD1NAMPT
SCHEMBL18701964 0.78 EPHX2 (0.41) CYP3A4EPHX2ALDH1A1HTTOPRD1
SCHEMBL29317699 0.78 EPHX2 (0.39) CYP3A4EPHX2CHRM2CHRM1CHRM3
SCHEMBL23945976 0.78 NAMPT (0.36) CYP3A4EPHX2ALDH1A1HTTGPR119
SCHEMBL20439114 0.78 CHRM2 (0.49) CHRM2CHRM1CHRM3AOC2CNR2
SCHEMBL23696235 0.77 L3MBTL1 (0.35) ALDH1A1GPR119OPRD1NAMPTAOC2

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-11352350-B2 IRAK degraders and uses thereof KYMERA THERAPEUTICS, INC. (US) 2022-06-07 US disclosed
US-20210323952-A1 IRAK DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. 2021-10-21 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 (2 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-11352350-B2 IRAK degraders and uses thereof IRAK2, IRAK3, IRAK1 CYP3A4 2542/4885EPHX2 1890/4885CHRM2 4681/4885
US-20210323952-A1 IRAK DEGRADERS AND USES THEREOF IRAK2, IRAK3, IRAK1 CYP3A4 2542/4885EPHX2 1890/4885CHRM2 4681/4885

“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.