SCHEMBL21472815

SCHEMBL21472815

CC(C)NC(=O)CN1CCC(CCN2CCN(C)CC2)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 4/20 0.51
CHRM5 P08912 1/20 0.50
CHRM3 P20309 1/20 0.50
ALDH1A1 P00352 6/20 0.48
DRD2 P14416 2/20 0.45
HTR2A P28223 2/20 0.45
DRD3 P35462 2/20 0.45
HTT P42858 1/20 0.43
KDM4E B2RXH2 3/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
ALOX15 P16050 1/20 0.40
NOS3 P29474 1/20 0.40
NOS1 P29475 1/20 0.40
THRB P10828 1/20 0.39
POLB P06746 1/20 0.39
CYP3A4 P08684 1/20 0.39
GAA P10253 1/20 0.39
CYP2C19 P33261 1/20 0.39
AVPR1B P47901 1/20 0.38

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
SCHEMBL21026133 0.89 CHRM5 (0.50) CHRM5CHRM3ALDH1A1HTTKDM4E
SCHEMBL2629206 0.85 SIGMAR1 (0.66) SIGMAR1CHRM5CHRM3ALDH1A1KDM4E
SCHEMBL20231295 0.84 SIGMAR1 (0.51) SIGMAR1ALDH1A1DRD2HTR2ADRD3
SCHEMBL25079711 0.83 CHRM5 (0.53) SIGMAR1CHRM5CHRM3ALDH1A1HTT
SCHEMBL23870289 0.82 SIGMAR1 (0.60) SIGMAR1ALDH1A1DRD2HTR2ADRD3
SCHEMBL21472814 0.81 SIGMAR1 (0.41) SIGMAR1CHRM5CHRM3ALDH1A1HTT
SCHEMBL23095532 0.81 SIGMAR1 (0.74) SIGMAR1CHRM5CHRM3ALDH1A1KDM4E
SCHEMBL21472817 0.80 CHRM5 (0.53) SIGMAR1CHRM5CHRM3ALDH1A1HTT
SCHEMBL21026129 0.80 CHRM5 (0.55) SIGMAR1CHRM5CHRM3ALDH1A1HTT
SCHEMBL26741475 0.79 CHRM5 (0.51) SIGMAR1CHRM5CHRM3ALDH1A1HTT

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 SIGMAR1 4148/4885CHRM5 4497/4885CHRM3 4695/4885
US-11161841-B2 Modulators of proteolysis and associated methods of use MDM2, CRBN, VHL SIGMAR1 4148/4885CHRM5 4497/4885CHRM3 4695/4885

“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.