SCHEMBL20046581

SCHEMBL20046581

C[C@@H]1CN(c2ncc(C(=O)OCc3ccccc3)cn2)C[C@H](C)N1CCCO

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JMJD6 Q6NYC1 1/20 0.42
OPRM1 P35372 1/20 0.41
KMT2A Q03164 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
SLC6A3 Q01959 2/20 0.41
SLC6A2 P23975 1/20 0.41
LMNA P02545 2/20 0.40
CHRNB2 P17787 1/20 0.40
CHRNA7 P36544 1/20 0.40
CHRNA4 P43681 1/20 0.40
HDAC1 Q13547 4/20 0.40
HDAC3 O15379 3/20 0.40
HDAC2 Q92769 3/20 0.40
HDAC8 Q9BY41 3/20 0.40
CYP2C9 P11712 1/20 0.40
SLC6A4 P31645 1/20 0.40
MAPKAPK3 Q16644 1/20 0.40
HDAC4 P56524 2/20 0.39
HDAC7 Q8WUI4 2/20 0.39
HDAC10 Q969S8 2/20 0.39

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
SCHEMBL20046584 0.81 TDP1 (0.47) JMJD6KMT2ATDP1SLC6A3SLC6A2
SCHEMBL26511197 0.77 LMNA (0.49) JMJD6KMT2ATDP1SLC6A3SLC6A2
SCHEMBL30199385 0.77 HTR2C (0.51) OPRM1KMT2ASLC6A4HTR2CTMEM97
SCHEMBL20046582 0.75 CRBN (0.45)
SCHEMBL30199651 0.69 HTR2C (0.53) KMT2ACYP2C9SLC6A4HTR2CALDH1A1
SCHEMBL12542345 0.69 SGPL1 (0.54) KMT2ASLC6A3LMNACHRNB2CHRNA7
SCHEMBL20305861 0.69 TDP1 (0.64) JMJD6KMT2ATDP1SLC6A3SLC6A2
SCHEMBL21336724 0.69 HDAC1 (0.51) KMT2ATDP1SLC6A3LMNACHRNB2
SCHEMBL24944807 0.68 P4HTM (0.50) CHRM4
SCHEMBL21336665 0.68 KMT2A (0.48) KMT2ATDP1SLC6A3SLC6A2LMNA

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 7 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-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 JMJD6 449/4885OPRM1 1832/4885KMT2A 1463/4885
US-20210040044-A1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF ANDROGEN RECEPTOR AR, ADRM1, CRBN JMJD6 464/4885OPRM1 1885/4885KMT2A 1478/4885
US-20210171470-A1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF ANDROGEN RECEPTOR AR, ADRM1, CRBN JMJD6 464/4885OPRM1 1885/4885KMT2A 1478/4885
US-20210009528-A1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF ANDROGEN RECEPTOR AR, ADRM1, CRBN JMJD6 449/4885OPRM1 1832/4885KMT2A 1463/4885
US-20180099940-A1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF ANDROGEN RECEPTOR AR, ADRM1, CRBN JMJD6 464/4885OPRM1 1885/4885KMT2A 1478/4885
US-10844021-B2 Compounds and methods for the targeted degradation of androgen receptor AR, ADRM1, CRBN JMJD6 464/4885OPRM1 1885/4885KMT2A 1478/4885
US-11236051-B2 Compounds and methods for the targeted degradation of androgen receptor AR, ADRM1, CRBN JMJD6 449/4885OPRM1 1832/4885KMT2A 1463/4885

“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.