SCHEMBL20046750

SCHEMBL20046750

CCOC(=O)c1ccc(CCCCCCN2[C@H](C)CN(C(=O)OC(C)(C)C)C[C@@H]2C)cc1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KCNJ1 P48048 1/20 0.40
KCNH2 Q12809 1/20 0.40
ATM Q13315 1/20 0.40
SETD7 Q8WTS6 1/20 0.39
MAPT P10636 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
GPR119 Q8TDV5 7/20 0.38
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
GAA P10253 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
HTT P42858 1/20 0.37
CNR2 P34972 1/20 0.36

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
SCHEMBL20046753 0.88 RARB (0.41) KCNH2SETD7MAPTGPR119ALDH1A1
SCHEMBL20046747 0.83 ATM (0.38) ATMSETD7MAPTNPSR1GPR119
SCHEMBL20046027 0.81 HDAC1 (0.46) SETD7MAPTGPR119
SCHEMBL7985865 0.80 SIGMAR1 (0.50) GPR119
SCHEMBL7985869 0.80 SIGMAR1 (0.50) GPR119
SCHEMBL20046028 0.79 HRH3 (0.46) SETD7GPR119KDM4E
SCHEMBL20046352 0.79 HRH3 (0.46) SETD7GPR119KDM4E
SCHEMBL15996117 0.77 ATM (0.46) ATMMAPTNPSR1GPR119ALDH1A1
SCHEMBL22047518 0.77 KCNJ1 (0.39) KCNJ1KCNH2KDM4EALDH1A1GAA
SCHEMBL20046024 0.76 GPR119 (0.46) SETD7GPR119

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 KCNJ1 4883/4885KCNH2 4868/4885ATM 621/4885
US-20210040044-A1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF ANDROGEN RECEPTOR AR, ADRM1, CRBN KCNJ1 4883/4885KCNH2 4867/4885ATM 626/4885
US-20210171470-A1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF ANDROGEN RECEPTOR AR, ADRM1, CRBN KCNJ1 4883/4885KCNH2 4867/4885ATM 626/4885
US-20210009528-A1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF ANDROGEN RECEPTOR AR, ADRM1, CRBN KCNJ1 4883/4885KCNH2 4868/4885ATM 621/4885
US-20180099940-A1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF ANDROGEN RECEPTOR AR, ADRM1, CRBN KCNJ1 4883/4885KCNH2 4867/4885ATM 626/4885
US-10844021-B2 Compounds and methods for the targeted degradation of androgen receptor AR, ADRM1, CRBN KCNJ1 4883/4885KCNH2 4867/4885ATM 626/4885
US-11236051-B2 Compounds and methods for the targeted degradation of androgen receptor AR, ADRM1, CRBN KCNJ1 4883/4885KCNH2 4868/4885ATM 621/4885

“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.