SCHEMBL23945976

SCHEMBL23945976

CC(C)NCC1CC2(CCN(C(=O)C(C)(C)C)CC2)C1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 4/20 0.36
EPHX2 P34913 2/20 0.36
CYP1A2 P05177 3/20 0.35
CYP2C9 P11712 2/20 0.35
ALDH1A1 P00352 3/20 0.35
CYP2D6 P10635 3/20 0.34
CYP2C19 P33261 1/20 0.33
CYP3A4 P08684 1/20 0.33
GPR119 Q8TDV5 4/20 0.32
HTT P42858 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
EPHX1 P07099 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
SCHEMBL25468601 0.84 CYP2D6 (0.38) EPHX2CYP1A2CYP2C9ALDH1A1CYP2D6
SCHEMBL22856408 0.83 NAMPT (0.36) NAMPTCYP1A2CYP2C9ALDH1A1CYP2D6
SCHEMBL24764434 0.82 ALDH1A1 (0.41) NAMPTEPHX2CYP1A2CYP2C9ALDH1A1
SCHEMBL25904177 0.79 CYP3A4 (0.37) NAMPTEPHX2ALDH1A1CYP3A4GPR119
SCHEMBL23945977 0.78 CYP3A4 (0.36) NAMPTEPHX2ALDH1A1CYP3A4GPR119
SCHEMBL25728446 0.77 ALDH1A1 (0.31) CYP1A2CYP2C9ALDH1A1CYP2D6GPR119
SCHEMBL25904083 0.75 GPR119 (0.38) NAMPTEPHX2ALDH1A1CYP3A4GPR119
SCHEMBL23945809 0.75
SCHEMBL26246996 0.74 HRH3 (0.32) CYP2D6
SCHEMBL18701964 0.72 EPHX2 (0.41) EPHX2ALDH1A1CYP3A4HTTMEN1

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 NAMPT 1694/4885EPHX2 1890/4885CYP1A2 3570/4885
US-20210323952-A1 IRAK DEGRADERS AND USES THEREOF IRAK2, IRAK3, IRAK1 NAMPT 1694/4885EPHX2 1890/4885CYP1A2 3570/4885

“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.