SCHEMBL21025871

SCHEMBL21025871

CC(C)(I)NCC1CCCN(CCOCCCCOC(C)(C)C)C1

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 2/20 0.34
SLC6A4 P31645 2/20 0.34
SLC6A3 Q01959 2/20 0.34
HRH3 Q9Y5N1 10/20 0.33
MAOB P27338 2/20 0.33
KCNH2 Q12809 2/20 0.32
CACNA1I Q9P0X4 1/20 0.32
ALDH1A1 P00352 1/20 0.31
CHRNB2 P17787 1/20 0.31
CHRNA4 P43681 1/20 0.31
CACNA1H O95180 1/20 0.31
CYP2D6 P10635 1/20 0.31
KDM4E B2RXH2 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
SCHEMBL20128707 0.90 SLC6A2 (0.35) SLC6A2SLC6A4SLC6A3HRH3MAOB
SCHEMBL20330100 0.84 SLC6A2 (0.35) SLC6A2SLC6A4SLC6A3HRH3MAOB
SCHEMBL20128697 0.76 CACNA1H (0.32) SLC6A2SLC6A4SLC6A3HRH3KCNH2
SCHEMBL20317394 0.74 CACNA1H (0.31) HRH3KCNH2CACNA1HCYP2D6
SCHEMBL21899199 0.73 SLC6A2 (0.46) SLC6A2SLC6A4SLC6A3HRH3CHRNB2
SCHEMBL19958983 0.72 SLC6A1 (0.36) HRH3MAOBKCNH2CACNA1IALDH1A1
SCHEMBL19958980 0.72 SLC6A1 (0.36) HRH3MAOBKCNH2CACNA1IALDH1A1
SCHEMBL19958982 0.72 SLC6A1 (0.36) HRH3MAOBKCNH2CACNA1IALDH1A1
SCHEMBL19958985 0.72 SLC6A1 (0.36) HRH3MAOBKCNH2CACNA1IALDH1A1
SCHEMBL21456311 0.72 CARM1 (0.39) SLC6A2SLC6A4SLC6A3HRH3CHRNB2

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 SLC6A2 4852/4885SLC6A4 4330/4885SLC6A3 4683/4885
US-11065231-B2 Compounds and methods for the targeted degradation of interleukin-1 receptor- associated kinase 4 polypeptides IRAK1, IRAK4, IRAK2 SLC6A2 4852/4885SLC6A4 4330/4885SLC6A3 4683/4885

“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.