SCHEMBL21472817

SCHEMBL21472817

CC(C)NC(=O)CN1CCC(N2CCN(C)CC2)CC1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHRM5 P08912 1/20 0.53
CHRM3 P20309 1/20 0.53
SIGMAR1 Q99720 5/20 0.50
ALDH1A1 P00352 5/20 0.48
HTT P42858 2/20 0.44
POLB P06746 2/20 0.42
KDM4E B2RXH2 4/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
CYP3A4 P08684 1/20 0.41
GAA P10253 1/20 0.41
CYP2C19 P33261 1/20 0.41
NPC1 O15118 1/20 0.40

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
SCHEMBL21026134 0.85 CHRM5 (0.53) CHRM5CHRM3SIGMAR1ALDH1A1HTT
SCHEMBL2629206 0.84 SIGMAR1 (0.66) CHRM5CHRM3SIGMAR1ALDH1A1POLB
SCHEMBL20231296 0.83 SIGMAR1 (0.48) SIGMAR1ALDH1A1KDM4E
SCHEMBL21472815 0.80 SIGMAR1 (0.51) CHRM5CHRM3SIGMAR1ALDH1A1HTT
SCHEMBL23095532 0.80 SIGMAR1 (0.74) CHRM5CHRM3SIGMAR1ALDH1A1POLB
SCHEMBL7720993 0.78 CHRM5 (0.62) CHRM5CHRM3SIGMAR1ALDH1A1HTT
SCHEMBL23862112 0.78 CHRM5 (0.62) CHRM5CHRM3ALDH1A1HTTPOLB
SCHEMBL6478473 0.78 ITGB3 (0.50) SIGMAR1ALDH1A1KDM4ESMN1; SMN2
SCHEMBL12774048 0.77 SMN1; SMN2 (0.45) SIGMAR1ALDH1A1KDM4ESMN1; SMN2
SCHEMBL23464917 0.77 CHRM5 (0.75) CHRM5CHRM3SIGMAR1ALDH1A1HTT

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-11161841-B2 Modulators of proteolysis and associated methods of use ARVINAS OPERATIONS, INC. (US) 2021-11-02 US disclosed
US-20190315732-A1 MODULATORS OF PROTEOLYSIS AND ASSOCIATED METHODS OF USE ARVINAS OPERATIONS, INC. 2019-10-17 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-20190315732-A1 MODULATORS OF PROTEOLYSIS AND ASSOCIATED METHODS OF USE MDM2, CRBN, VHL CHRM5 4497/4885CHRM3 4695/4885SIGMAR1 4148/4885
US-11161841-B2 Modulators of proteolysis and associated methods of use MDM2, CRBN, VHL CHRM5 4497/4885CHRM3 4695/4885SIGMAR1 4148/4885

“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.