SCHEMBL29314432

SCHEMBL29314432

COCCN1CCCN(CCOC(C)(C)C)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
KCNH2 Q12809 2/20 0.37
CHRM2 P08172 1/20 0.37
HTR1A P08908 1/20 0.37
ADRA2A P08913 1/20 0.37
CHRM1 P11229 1/20 0.37
DRD1 P21728 1/20 0.37
TBXA2R P21731 1/20 0.37
ACHE P22303 1/20 0.37
SLC6A2 P23975 1/20 0.37
SLC6A4 P31645 1/20 0.37
ADRA1A P35348 1/20 0.37
OPRM1 P35372 1/20 0.37
DRD3 P35462 1/20 0.37
SLC6A3 Q01959 1/20 0.37
HRH3 Q9Y5N1 1/20 0.37
KDM4E B2RXH2 2/20 0.37
CACNA1I Q9P0X4 1/20 0.36
HSD11B1 P28845 1/20 0.36

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
SCHEMBL12788374 0.94 HSD11B1 (0.39) ALDH1A1SMN1; SMN2KCNH2CHRM2HTR1A
SCHEMBL19958953 0.92 ALDH1A1 (0.45) ALDH1A1SMN1; SMN2KCNH2CHRM2HTR1A
SCHEMBL10159897 0.90 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2KCNH2CHRM2HTR1A
SCHEMBL824037 0.86 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2KCNH2CHRM2HTR1A
SCHEMBL19958939 0.85 ALDH1A1 (0.41) ALDH1A1SMN1; SMN2KCNH2CHRM2HTR1A
SCHEMBL12788388 0.84 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2KCNH2CHRM2HTR1A
SCHEMBL13656337 0.84 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2KCNH2CHRM2HTR1A
SCHEMBL2734116 0.84 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2KCNH2CHRM2HTR1A
SCHEMBL22560689 0.83 ALDH1A1 (0.40) ALDH1A1SMN1; SMN2KCNH2CHRM2HTR1A
SCHEMBL1220049 0.83

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-12036209-B2 Compounds and methods for the targeted degradation of Interleukin-1 receptor-associated kinase 4 polypeptides ARVINAS OPERATIONS, INC. (US) 2024-07-16 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-12036209-B2 Compounds and methods for the targeted degradation of Interleukin-1 receptor-associated kinase 4 polypeptides IRAK1, IRAK4, IRAK2 ALDH1A1 2211/4885SMN1; SMN2 1811/4885KCNH2 4850/4885

“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.