SCHEMBL23945425

SCHEMBL23945425

CCCCCC(C)C#CCN1CCC2(CC1)CN(CC(C)C)C2

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 14/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
TSHR P16473 3/20 0.34
CYP1A2 P05177 6/20 0.33
USP2 O75604 6/20 0.33
HIF1A Q16665 2/20 0.33
CYP2C9 P11712 2/20 0.33
CYP2C19 P33261 2/20 0.33
CYP3A4 P08684 9/20 0.33
CHRM2 P08172 1/20 0.33
CHRM4 P08173 1/20 0.33
CHRM5 P08912 1/20 0.33
CHRM1 P11229 1/20 0.33
CHRM3 P20309 1/20 0.33
HSD17B10 Q99714 1/20 0.32
ALDH1A1 P00352 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
SCHEMBL25888312 0.91 CYP2D6 (0.39) CYP2D6SMN1; SMN2TSHRCYP1A2USP2
SCHEMBL23945612 0.85 CYP2D6 (0.41) CYP2D6SMN1; SMN2TSHRCYP1A2USP2
SCHEMBL25829615 0.85 S1PR1 (0.36)
SCHEMBL25480309 0.83 CHRM2 (0.38) CYP2D6CHRM2CHRM4CHRM5CHRM1
SCHEMBL25122891 0.83 CYP2D6 (0.38) CYP2D6SMN1; SMN2TSHRCYP1A2USP2
SCHEMBL23696509 0.81 CYP2D6 (0.42) CYP2D6SMN1; SMN2TSHRCYP1A2USP2
SCHEMBL25928093 0.78 CHRM2 (0.33) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL25728803 0.77
SCHEMBL24673670 0.76 ACE2 (0.32) CYP2D6CYP1A2USP2CYP2C9CYP3A4
SCHEMBL23518803 0.73 CYP2D6 (0.45) CYP2D6SMN1; SMN2TSHRCYP1A2USP2

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 CYP2D6 3599/4885SMN1; SMN2 2647/4885TSHR 3319/4885
US-20210323952-A1 IRAK DEGRADERS AND USES THEREOF IRAK2, IRAK3, IRAK1 CYP2D6 3599/4885SMN1; SMN2 2647/4885TSHR 3319/4885

“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.