SCHEMBL29312972

SCHEMBL29312972

CC(C)(C)CC1CCN(CCOC(C)(C)C)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.47
CACNA1I Q9P0X4 1/20 0.47
SIGMAR1 Q99720 2/20 0.33
TMEM97 Q5BJF2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HRH3 Q9Y5N1 3/20 0.33
NPC1 O15118 1/20 0.32
GNAO1 P09471 1/20 0.32
CHRM2 P08172 1/20 0.31
HTR1A P08908 1/20 0.31
ADRA2A P08913 1/20 0.31
CHRM1 P11229 1/20 0.31
DRD1 P21728 1/20 0.31
TBXA2R P21731 1/20 0.31
ACHE P22303 1/20 0.31
SLC6A2 P23975 1/20 0.31
SLC6A4 P31645 1/20 0.31
ADRA1A P35348 1/20 0.31
OPRM1 P35372 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
SCHEMBL19958997 0.89 KCNH2 (0.42) KCNH2CACNA1I
SCHEMBL21673666 0.87 KCNH2 (0.48) KCNH2CACNA1ISIGMAR1TMEM97ALDH1A1
SCHEMBL12449623 0.83 KDM1A (0.38) KCNH2CACNA1ISIGMAR1TMEM97ALDH1A1
SCHEMBL4286396 0.82 KCNH2 (0.48) KCNH2CACNA1IHRH3GNAO1CHRM2
SCHEMBL19958994 0.81 KCNH2 (0.35) KCNH2CACNA1I
SCHEMBL824023 0.81 CARM1 (0.47) KCNH2CACNA1ISIGMAR1HRH3ACHE
SCHEMBL18872031 0.81 KCNH2 (0.43) KCNH2CACNA1ISIGMAR1ALDH1A1SMN1; SMN2
SCHEMBL19958952 0.80 KCNH2 (0.52) KCNH2CACNA1ISIGMAR1TMEM97ALDH1A1
SCHEMBL29339342 0.80 KCNH2 (0.43) KCNH2CACNA1ISIGMAR1HRH3NPC1
SCHEMBL19958982 0.80 SLC6A1 (0.36) KCNH2CACNA1IALDH1A1SMN1; SMN2HRH3

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 4439/4885SIGMAR1 2905/4885

“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.