SCHEMBL21026129

SCHEMBL21026129

CC1CCN(CCN2CCN(CC(=O)NC(C)C)CC2)CC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM5 P08912 1/20 0.55
CHRM3 P20309 1/20 0.55
ALDH1A1 P00352 5/20 0.52
HTT P42858 3/20 0.50
POLB P06746 2/20 0.50
SMN1; SMN2 Q16637 3/20 0.46
KDM4E B2RXH2 2/20 0.46
TDP1 Q9NUW8 1/20 0.46
SIGMAR1 Q99720 2/20 0.46
HRH3 Q9Y5N1 1/20 0.45
NOS3 P29474 1/20 0.43
NOS1 P29475 1/20 0.43
GAA P10253 2/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C19 P33261 1/20 0.43
MEN1 O00255 1/20 0.42
MAPT P10636 1/20 0.42
MAPK1 P28482 1/20 0.42
RAD52 P43351 1/20 0.42
GFER P55789 1/20 0.42

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
SCHEMBL23862112 0.94 CHRM5 (0.62) CHRM5CHRM3ALDH1A1HTTPOLB
SCHEMBL21026133 0.88 CHRM5 (0.50) CHRM5CHRM3ALDH1A1HTTPOLB
SCHEMBL21026134 0.85 CHRM5 (0.53) CHRM5CHRM3ALDH1A1HTTPOLB
SCHEMBL21026131 0.83 POLB (0.49) CHRM5CHRM3HTTPOLBHRH3
SCHEMBL23464917 0.83 CHRM5 (0.75) CHRM5CHRM3ALDH1A1HTTPOLB
SCHEMBL20234773 0.82 HTT (0.54) ALDH1A1HTTPOLBSMN1; SMN2KDM4E
SCHEMBL7720993 0.80 CHRM5 (0.62) CHRM5CHRM3ALDH1A1HTTPOLB
SCHEMBL7725244 0.80 CHRM5 (0.62) CHRM5CHRM3ALDH1A1HTTPOLB
SCHEMBL2629206 0.80 SIGMAR1 (0.66) CHRM5CHRM3ALDH1A1POLBSMN1; SMN2
SCHEMBL21472815 0.80 SIGMAR1 (0.51) CHRM5CHRM3ALDH1A1HTTPOLB

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-11065231-B2 Compounds and methods for the targeted degradation of interleukin-1 receptor- associated kinase 4 polypeptides ARVINAS OPERATIONS, INC. (US) 2021-07-20 US disclosed
US-20190151295-A1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF INTERLEUKIN-1 RECEPTOR-ASSOCIATED KINASE 4 POLYPEPTIDES ARVINAS OPERATIONS, INC. 2019-05-23 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-20190151295-A1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF INTERLEUKIN-1 RECEPTOR-ASSOCIATED KINASE 4 POLYPEPTIDES IRAK1, IRAK4, IRAK2 CHRM5 4585/4885CHRM3 4601/4885ALDH1A1 2896/4885
US-11065231-B2 Compounds and methods for the targeted degradation of interleukin-1 receptor- associated kinase 4 polypeptides IRAK1, IRAK4, IRAK2 CHRM5 4585/4885CHRM3 4601/4885ALDH1A1 2896/4885

“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.