SCHEMBL21026134

SCHEMBL21026134

CC1CCN(C2CCN(CC(=O)NC(C)C)CC2)CC1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CHRM5 P08912 1/20 0.53
CHRM3 P20309 1/20 0.53
ALDH1A1 P00352 5/20 0.47
POLB P06746 4/20 0.44
KDM4E B2RXH2 3/20 0.44
SIGMAR1 Q99720 1/20 0.44
HTT P42858 4/20 0.44
SMN1; SMN2 Q16637 3/20 0.42
CYP3A4 P08684 2/20 0.41
CYP2C19 P33261 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
GAA P10253 1/20 0.41

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
SCHEMBL23862112 0.91 CHRM5 (0.62) CHRM5CHRM3ALDH1A1POLBKDM4E
SCHEMBL21472817 0.85 CHRM5 (0.53) CHRM5CHRM3ALDH1A1POLBKDM4E
SCHEMBL21026129 0.85 CHRM5 (0.55) CHRM5CHRM3ALDH1A1POLBKDM4E
SCHEMBL20234289 0.83 POLB (0.48) ALDH1A1POLBKDM4ESIGMAR1HTT
SCHEMBL25631010 0.80 KDM4E (0.48) ALDH1A1POLBKDM4EHTTSMN1; SMN2
SCHEMBL21026133 0.80 CHRM5 (0.50) CHRM5CHRM3ALDH1A1POLBKDM4E
SCHEMBL24838153 0.78 KDM4E (0.51) ALDH1A1POLBKDM4ESIGMAR1HTT
SCHEMBL7720993 0.78 CHRM5 (0.62) CHRM5CHRM3ALDH1A1POLBKDM4E
SCHEMBL23464917 0.77 CHRM5 (0.75) CHRM5CHRM3ALDH1A1POLBKDM4E
SCHEMBL23553283 0.76 CHRM5 (0.60) CHRM5CHRM3ALDH1A1POLBKDM4E

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11161841-B2 Modulators of proteolysis and associated methods of use ARVINAS OPERATIONS, INC. (US) 2021-11-02 US disclosed
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-20200155690-A1 CEREBLON LIGANDS AND BIFUNCTIONAL COMPOUNDS COMPRISING THE SAME ARVINAS OPERATIONS, INC. 2020-05-21 US disclosed
US-20190315732-A1 MODULATORS OF PROTEOLYSIS AND ASSOCIATED METHODS OF USE ARVINAS OPERATIONS, INC. 2019-10-17 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 (5 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 CHRM5 4585/4885CHRM3 4601/4885ALDH1A1 2896/4885
US-11065231-B2 Compounds and methods for the targeted degradation of interleukin-1 receptor- associated kinase 4 polypeptides IRAK1, IRAK4, IRAK2 CHRM5 4585/4885CHRM3 4601/4885ALDH1A1 2896/4885
US-20190315732-A1 MODULATORS OF PROTEOLYSIS AND ASSOCIATED METHODS OF USE MDM2, CRBN, VHL CHRM5 4497/4885CHRM3 4695/4885ALDH1A1 2958/4885
US-20200155690-A1 CEREBLON LIGANDS AND BIFUNCTIONAL COMPOUNDS COMPRISING THE SAME CRBN, CBL, MDM2 CHRM5 4309/4885CHRM3 3998/4885ALDH1A1 3671/4885
US-11161841-B2 Modulators of proteolysis and associated methods of use MDM2, CRBN, VHL CHRM5 4497/4885CHRM3 4695/4885ALDH1A1 2958/4885

“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.