SCHEMBL24673399

SCHEMBL24673399

CCCCC(CCCC)CN1CCC2(CC1)CCN(C(=O)CCC(C)CC)CC2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 10/20 0.41
ALDH1A1 P00352 2/20 0.37
CYP3A4 P08684 1/20 0.37
ITGB3 P05106 3/20 0.37
ITGA2B P08514 3/20 0.37
CHRM2 P08172 1/20 0.36
HTR1A P08908 1/20 0.36
ADRA2A P08913 1/20 0.36
ADORA3 P0DMS8 1/20 0.36
CHRM1 P11229 1/20 0.36
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
OPRM1 P35372 1/20 0.36
DRD3 P35462 1/20 0.36
SLC6A3 Q01959 1/20 0.36
KCNH2 Q12809 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL26408734 0.92 CYP2D6 (0.40) CYP2D6ALDH1A1CYP3A4ITGB3ITGA2B
SCHEMBL25829191 0.91 CYP2D6 (0.40) CYP2D6ALDH1A1CYP3A4ITGB3ITGA2B
SCHEMBL23945421 0.89 OPRL1 (0.39) CYP2D6ALDH1A1CYP3A4ITGB3ITGA2B
SCHEMBL25707305 0.88 CA2 (0.41) CYP2D6ALDH1A1CYP3A4ITGB3ITGA2B
SCHEMBL25923662 0.87 CYP2D6 (0.47) CYP2D6ALDH1A1CYP3A4ITGB3ITGA2B
SCHEMBL23806767 0.86 CYP2D6 (0.44) CYP2D6ALDH1A1CYP3A4ITGB3ITGA2B
SCHEMBL25924028 0.86 L3MBTL1 (0.42) CYP2D6ALDH1A1CYP3A4ITGB3ITGA2B
SCHEMBL27107664 0.86 CYP2D6 (0.56) CYP2D6ALDH1A1CYP3A4MAPK1CYP2C9
SCHEMBL25702021 0.85 CYP2D6 (0.42) CYP2D6ALDH1A1CYP3A4ITGB3ITGA2B
SCHEMBL25654337 0.85 CYP2D6 (0.52) CYP2D6ALDH1A1CYP3A4ITGB3ITGA2B

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220340570-A1 IRAK DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. 2022-10-27 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 (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-20220340570-A1 IRAK DEGRADERS AND USES THEREOF IRAK2, IRAK3, IRAK1 CYP2D6 3599/4885ALDH1A1 2776/4885CYP3A4 2542/4885

“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.