SCHEMBL22964341

SCHEMBL22964341

CC(C)(C)OC(=O)c1ccc(N2CCN(CC3CCN(CC(=O)OCc4ccccc4)CC3)CC2)cc1

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TMEM97 Q5BJF2 2/20 0.45
SIGMAR1 Q99720 2/20 0.45
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41
HTR2B P41595 1/20 0.41
TSHR P16473 2/20 0.41
ALDH1A1 P00352 2/20 0.41
CHRM4 P08173 3/20 0.41
HTT P42858 1/20 0.41
KDM4E B2RXH2 1/20 0.41
MAPT P10636 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
SCHEMBL25214773 0.86 HRH1 (0.43) SIGMAR1ALDH1A1HTT
SCHEMBL25420220 0.86 HRH1 (0.43) SIGMAR1ALDH1A1HTT
SCHEMBL28528615 0.86 GPR119 (0.47) TMEM97SIGMAR1HTR2AHTR2CHTR2B
SCHEMBL29098516 0.82 BCHE (0.43) SIGMAR1CHRM4
SCHEMBL22692247 0.80 HDAC3 (0.45) ALDH1A1MAPT
SCHEMBL29058902 0.80 TMEM97 (0.45) TMEM97SIGMAR1HTR2AHTR2CHTR2B
SCHEMBL30602884 0.79 SMN1; SMN2 (0.49) CHRM4HTTKDM4E
SCHEMBL25421042 0.79 ALDH1A1 (0.45) SIGMAR1ALDH1A1
SCHEMBL20046403 0.77 GPR119 (0.43) TSHRALDH1A1MAPT
SCHEMBL2941284 0.77 RAB9A (0.51) ALDH1A1KDM4EMAPT

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-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

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-20210040044-A1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF ANDROGEN RECEPTOR AR, ADRM1, CRBN TMEM97 1517/4885SIGMAR1 1756/4885HTR2A 1229/4885
US-20210171470-A1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF ANDROGEN RECEPTOR AR, ADRM1, CRBN TMEM97 1517/4885SIGMAR1 1756/4885HTR2A 1229/4885

“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.