SCHEMBL22692178

SCHEMBL22692178

CC(C)N1CCC(N(C)[C@H]2CC[C@H](C(C)(C)C)CC2)CC1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.46
CYP2D6 P10635 1/20 0.46
KCNH2 Q12809 1/20 0.46
ALOX15 P16050 1/20 0.33
MEN1 O00255 1/20 0.31
GAA P10253 1/20 0.31
TSHR P16473 1/20 0.31
HTT P42858 1/20 0.31
KMT2A Q03164 1/20 0.31
WHR1 P49842 1/20 0.30

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
SCHEMBL11991385 0.87 HRH3 (0.37) HRH3CYP2D6KCNH2MEN1GAA
SCHEMBL26501062 0.84 HRH3 (0.38) HRH3CYP2D6KCNH2MEN1GAA
SCHEMBL179369 0.80 HRH3 (0.63) HRH3CYP2D6KCNH2HTT
SCHEMBL24294554 0.79 WHR1 (0.34) HRH3MEN1GAATSHRHTT
SCHEMBL20046957 0.78 HRH3 (0.33) HRH3WHR1
SCHEMBL18347918 0.77 HRH3 (0.36) HRH3KCNH2WHR1
SCHEMBL24827877 0.77 HRH3 (0.51) HRH3CYP2D6KCNH2HTT
SCHEMBL8257089 0.77 HTR2A (0.37) HRH3MEN1KMT2A
SCHEMBL22873455 0.75 HSD11B1 (0.47) HRH3CYP2D6KCNH2ALOX15TSHR
SCHEMBL20682188 0.74 HRH3 (0.33) HRH3

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-11236051-B2 Compounds and methods for the targeted degradation of androgen receptor ARVINAS OPERATIONS, INC. (US) 2022-02-01 US disclosed
US-20210171470-A1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF ANDROGEN RECEPTOR ARVINAS OPERATIONS, INC. 2021-06-10 US disclosed
US-20210040044-A1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF ANDROGEN RECEPTOR Arvinas, Inc. 2021-02-11 US disclosed
US-20210009528-A1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF ANDROGEN RECEPTOR Arvinas, Inc. 2021-01-14 US disclosed
US-10844021-B2 Compounds and methods for the targeted degradation of androgen receptor ARVINAS OPERATIONS, INC. (US) 2020-11-24 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-20210040044-A1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF ANDROGEN RECEPTOR AR, ADRM1, CRBN HRH3 3553/4885CYP2D6 2949/4885KCNH2 4867/4885
US-20210171470-A1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF ANDROGEN RECEPTOR AR, ADRM1, CRBN HRH3 3553/4885CYP2D6 2949/4885KCNH2 4867/4885
US-20210009528-A1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF ANDROGEN RECEPTOR AR, ADRM1, CRBN HRH3 3537/4885CYP2D6 2827/4885KCNH2 4868/4885
US-10844021-B2 Compounds and methods for the targeted degradation of androgen receptor AR, ADRM1, CRBN HRH3 3553/4885CYP2D6 2949/4885KCNH2 4867/4885
US-11236051-B2 Compounds and methods for the targeted degradation of androgen receptor AR, ADRM1, CRBN HRH3 3537/4885CYP2D6 2827/4885KCNH2 4868/4885

“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.