SCHEMBL20046908

SCHEMBL20046908

COC(=O)c1c(F)cc(CCN2CCN(C(=O)OC(C)(C)C)CC2)cc1F

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ACKR3 P25106 5/20 0.45
NR1H2 P55055 1/20 0.41
ALDH1A1 P00352 1/20 0.41
CHRM2 P08172 1/20 0.40
CHRM4 P08173 1/20 0.40
CHRM1 P11229 1/20 0.40
CHRM3 P20309 1/20 0.40
DPP4 P27487 1/20 0.40
MAPT P10636 1/20 0.39
PLK1 P53350 1/20 0.39
TLR8 Q9NR97 1/20 0.39
SIGMAR1 Q99720 1/20 0.39
MAPK14 Q16539 1/20 0.39
GPR119 Q8TDV5 1/20 0.39
F13A1 P00488 1/20 0.38
TGM2 P21980 1/20 0.38
TGM1 P22735 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
SCHEMBL6822757 0.82 VEGFA (0.45) ACKR3ALDH1A1CHRM2CHRM4CHRM1
SCHEMBL28400351 0.80 HDAC1 (0.51) NR1H2ALDH1A1MAPTSIGMAR1
SCHEMBL20076106 0.80 MAPT (0.49) NR1H2ALDH1A1MAPTGPR119F13A1
SCHEMBL30754082 0.78 P2RX3 (0.33) NR1H2ALDH1A1DPP4MAPK14GPR119
SCHEMBL3708001 0.78 HTR2A (0.52) CHRM2CHRM4CHRM1CHRM3PLK1
SCHEMBL1742600 0.78 SIGMAR1 (0.49) ACKR3NR1H2ALDH1A1TLR8SIGMAR1
SCHEMBL24541956 0.77 ACKR3 (0.46) ACKR3NR1H2GPR119
SCHEMBL2723325 0.77 KCNJ1 (0.53) ACKR3SIGMAR1GPR119
SCHEMBL3712707 0.75 MEN1 (0.59) ACKR3CHRM2CHRM4CHRM1CHRM3
SCHEMBL1332850 0.74 CHRM3 (0.56) CHRM3SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230331681-A1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF ANDROGEN RECEPTOR ARVINAS OPERATIONS, INC. 2023-10-19 US disclosed
US-20230331681-A1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF ANDROGEN RECEPTOR ARVINAS OPERATIONS, INC. 2023-10-19 US disclosed
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
US-20180099940-A1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF ANDROGEN RECEPTOR ARVINAS OPERATIONS, INC. 2018-04-12 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 (7 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-20230331681-A1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF ANDROGEN RECEPTOR AR, ADRM1, CRBN ACKR3 3958/4885NR1H2 490/4885ALDH1A1 798/4885
US-20210040044-A1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF ANDROGEN RECEPTOR AR, ADRM1, CRBN ACKR3 4012/4885NR1H2 514/4885ALDH1A1 824/4885
US-20210171470-A1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF ANDROGEN RECEPTOR AR, ADRM1, CRBN ACKR3 4012/4885NR1H2 514/4885ALDH1A1 824/4885
US-20210009528-A1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF ANDROGEN RECEPTOR AR, ADRM1, CRBN ACKR3 3958/4885NR1H2 490/4885ALDH1A1 798/4885
US-20180099940-A1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF ANDROGEN RECEPTOR AR, ADRM1, CRBN ACKR3 4012/4885NR1H2 514/4885ALDH1A1 824/4885
US-10844021-B2 Compounds and methods for the targeted degradation of androgen receptor AR, ADRM1, CRBN ACKR3 4012/4885NR1H2 514/4885ALDH1A1 824/4885
US-11236051-B2 Compounds and methods for the targeted degradation of androgen receptor AR, ADRM1, CRBN ACKR3 3958/4885NR1H2 490/4885ALDH1A1 798/4885

“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.