SCHEMBL29339342

SCHEMBL29339342

CN1CCN(CC2CCN(CCOC(C)(C)C)CC2)CC1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.43
CACNA1I Q9P0X4 1/20 0.43
ACHE P22303 1/20 0.36
HRH3 Q9Y5N1 2/20 0.34
CACNA2D1 P54289 1/20 0.34
CACNA1B Q00975 1/20 0.34
CACNB1 Q02641 1/20 0.34
CACNA1C Q13936 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
NPC1 O15118 1/20 0.33
NCF1 P14598 1/20 0.32
CHRM5 P08912 1/20 0.32
ADRA2C P18825 1/20 0.32
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
HTR2B P41595 1/20 0.32
SIGMAR1 Q99720 1/20 0.32

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
SCHEMBL20443428 0.95 KCNH2 (0.41) KCNH2CACNA1IACHEHRH3CACNA2D1
SCHEMBL21673615 0.91 KCNH2 (0.39) KCNH2CACNA1IACHEHRH3CACNA2D1
SCHEMBL19959065 0.88 KCNH2 (0.42) KCNH2CACNA1IACHEHRH3NPC1
SCHEMBL19959066 0.86 KCNH2 (0.40) KCNH2CACNA1IACHEHRH3NPC1
SCHEMBL21673350 0.85 KCNH2 (0.34) KCNH2CACNA1IHRH3
SCHEMBL823889 0.84 ALDH1A1 (0.38) KCNH2CACNA1IACHEHRH3MEN1
SCHEMBL21673666 0.81 KCNH2 (0.48) KCNH2CACNA1IHRH3HTR2AHTR2C
SCHEMBL21784328 0.81 KCNH2 (0.40) KCNH2CACNA1I
SCHEMBL29312972 0.80 KCNH2 (0.47) KCNH2CACNA1IACHEHRH3NPC1
SCHEMBL19959067 0.79 KCNH2 (0.38) KCNH2CACNA1I

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 KCNH2 4850/4885CACNA1I 4439/4885ACHE 4300/4885

“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.