SCHEMBL23945451

SCHEMBL23945451

CSCN1CCC(OC2CCN(CC(C)C)CC2)CC1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.41
PIK3CD O00329 2/20 0.37
NAMPT P43490 1/20 0.34
CYP2D6 P10635 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
KDM4E B2RXH2 2/20 0.32
ALDH1A1 P00352 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.31
SIGMAR1 Q99720 2/20 0.31
DRD2 P14416 3/20 0.30
DRD4 P21917 3/20 0.30
DRD3 P35462 3/20 0.30

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
SCHEMBL23560035 0.87 HRH3 (0.49) HRH3PIK3CDNAMPTCYP2D6MEN1
SCHEMBL21107505 0.83 HRH3 (0.40) HRH3PIK3CDCYP2D6MEN1KMT2A
SCHEMBL24608232 0.82 HRH3 (0.45) HRH3PIK3CDNAMPTCYP2D6MEN1
SCHEMBL23518741 0.81 PIK3CD (0.38) HRH3PIK3CDCYP2D6KDM4EALDH1A1
SCHEMBL22794102 0.80 HRH3 (0.44) HRH3PIK3CDNAMPTCYP2D6MEN1
SCHEMBL23560049 0.80 HRH3 (0.44) HRH3PIK3CDNAMPTCYP2D6MEN1
SCHEMBL23134534 0.80 HRH3 (0.48) HRH3PIK3CDNAMPTCYP2D6MEN1
SCHEMBL23568927 0.79 HRH3 (0.43) HRH3PIK3CDNAMPTCYP2D6MEN1
SCHEMBL22794841 0.79 HRH3 (0.43) HRH3PIK3CD
SCHEMBL23695845 0.77 HRH3 (0.42) HRH3PIK3CDDRD2

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 HRH3 3631/4885PIK3CD 321/4885NAMPT 1694/4885
US-20210323952-A1 IRAK DEGRADERS AND USES THEREOF IRAK2, IRAK3, IRAK1 HRH3 3631/4885PIK3CD 321/4885NAMPT 1694/4885

“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.