SCHEMBL21025901

SCHEMBL21025901

COCCN1CCN(CCOCCN2CCN(CCN3CCN(C)CC3)CC2)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.47
KDM4E B2RXH2 3/20 0.47
HSD11B1 P28845 1/20 0.39
USP2 O75604 1/20 0.39
HPGD P15428 1/20 0.39
TDP1 Q9NUW8 1/20 0.38
PAOX Q6QHF9 1/20 0.37
CSNK2A2 P19784 1/20 0.37
CSNK2B P67870 1/20 0.37
CSNK2A1 P68400 1/20 0.37
CSNK2A3 Q8NEV1 1/20 0.37
DRD3 P35462 1/20 0.37
HRH3 Q9Y5N1 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
LTA4H P09960 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
POLB P06746 1/20 0.36
MAPT P10636 1/20 0.36
MEN1 O00255 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
SCHEMBL21664675 0.93 HSD11B1 (0.42) ALDH1A1KDM4EHSD11B1USP2HPGD
SCHEMBL13559781 0.91 ALDH1A1 (0.51) ALDH1A1KDM4EUSP2HPGDTDP1
SCHEMBL22778298 0.91 ALDH1A1 (0.51) ALDH1A1KDM4EUSP2HPGDTDP1
SCHEMBL84800 0.91 HSD11B1 (0.43) ALDH1A1KDM4EHSD11B1USP2HPGD
SCHEMBL21907884 0.90 ALDH1A1 (0.47) ALDH1A1KDM4EHSD11B1USP2HPGD
SCHEMBL2512123 0.89 ALDH1A1 (0.55) ALDH1A1KDM4EUSP2HPGDTDP1
SCHEMBL20234243 0.88 ALDH1A1 (0.45) ALDH1A1KDM4EUSP2HPGDPAOX
SCHEMBL20231220 0.88 KDM4E (0.45) ALDH1A1KDM4EUSP2HPGDTDP1
SCHEMBL20231539 0.86 KDM4E (0.42) ALDH1A1KDM4EHSD11B1SMN1; SMN2
SCHEMBL24921696 0.86 ALDH1A1 (0.44) ALDH1A1KDM4EUSP2HPGDPAOX

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 3 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-20200155689-A1 CEREBLON LIGANDS AND BIFUNCTIONAL COMPOUNDS COMPRISING THE SAME ARVINAS OPERATIONS, INC. 2020-05-21 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 (3 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 ALDH1A1 2896/4885KDM4E 1071/4885HSD11B1 4059/4885
US-11065231-B2 Compounds and methods for the targeted degradation of interleukin-1 receptor- associated kinase 4 polypeptides IRAK1, IRAK4, IRAK2 ALDH1A1 2896/4885KDM4E 1071/4885HSD11B1 4059/4885
US-20200155689-A1 CEREBLON LIGANDS AND BIFUNCTIONAL COMPOUNDS COMPRISING THE SAME CRBN, CBL, MDM2 ALDH1A1 3671/4885KDM4E 1613/4885HSD11B1 4225/4885

“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.