SCHEMBL20046744

SCHEMBL20046744

O=CC1CCC2CN(c3ccc(C(=O)OCc4ccccc4)cn3)CCN2C1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 8/20 0.47
KMT2A Q03164 3/20 0.46
MEN1 O00255 1/20 0.46
HDAC2 Q92769 2/20 0.44
HDAC3 O15379 1/20 0.44
CYP2C9 P11712 1/20 0.44
SLC6A4 P31645 1/20 0.44
SLC6A3 Q01959 1/20 0.44
MAPKAPK3 Q16644 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
CHRNB2 P17787 1/20 0.42
CHRNA7 P36544 1/20 0.42
CHRNA4 P43681 1/20 0.42
DRD2 P14416 3/20 0.42
DRD4 P21917 3/20 0.42
P2RY12 Q9H244 1/20 0.42
RAB9A P51151 3/20 0.41
NPC1 O15118 2/20 0.41
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 2/20 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
SCHEMBL20046739 0.86 HDAC1 (0.48) HDAC1KMT2AMEN1HDAC2HDAC3
SCHEMBL19580700 0.83 KMT2A (0.53) HDAC1KMT2AMEN1HDAC2HDAC3
SCHEMBL19581023 0.76 KMT2A (0.50) HDAC1KMT2AMEN1HDAC2HDAC3
SCHEMBL4125518 0.75 HRH3 (0.48) HDAC1KMT2AMEN1CHRNB2CHRNA7
SCHEMBL23183064 0.75 KMT2A (0.57) HDAC1KMT2AMEN1SLC6A3CHRNB2
SCHEMBL19580906 0.74 KMT2A (0.52) HDAC1KMT2AMEN1HDAC2HDAC3
SCHEMBL19581104 0.73 KMT2A (0.55) HDAC1KMT2AMEN1HDAC2HDAC3
SCHEMBL19580902 0.73 KMT2A (0.50) HDAC1KMT2AMEN1HDAC2HDAC3
SCHEMBL21336665 0.72 KMT2A (0.48) HDAC1KMT2AMEN1HDAC2HDAC3
SCHEMBL23582671 0.71 RAB9A (0.55) HDAC1KMT2AMEN1HDAC2HDAC3

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 10 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
EP-3660004-B1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF ANDROGEN RECEPTOR ARVINAS OPERATIONS INC (US) 2023-02-22 EP 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
EP-3660004-A1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF ANDROGEN RECEPTOR Arvinas Operations, Inc. (US) 2020-06-03 EP disclosed
WO-2018071606-A1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF ANDROGEN RECEPTOR Arvinas, Inc. (US) 2018-04-19 WO 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 HDAC1 1320/4885KMT2A 1463/4885MEN1 1674/4885
US-20210040044-A1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF ANDROGEN RECEPTOR AR, ADRM1, CRBN HDAC1 1306/4885KMT2A 1478/4885MEN1 1676/4885
US-20210171470-A1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF ANDROGEN RECEPTOR AR, ADRM1, CRBN HDAC1 1306/4885KMT2A 1478/4885MEN1 1676/4885
US-20210009528-A1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF ANDROGEN RECEPTOR AR, ADRM1, CRBN HDAC1 1320/4885KMT2A 1463/4885MEN1 1674/4885
US-20180099940-A1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF ANDROGEN RECEPTOR AR, ADRM1, CRBN HDAC1 1306/4885KMT2A 1478/4885MEN1 1676/4885
US-10844021-B2 Compounds and methods for the targeted degradation of androgen receptor AR, ADRM1, CRBN HDAC1 1306/4885KMT2A 1478/4885MEN1 1676/4885
US-11236051-B2 Compounds and methods for the targeted degradation of androgen receptor AR, ADRM1, CRBN HDAC1 1320/4885KMT2A 1463/4885MEN1 1674/4885

“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.