SCHEMBL19600932

SCHEMBL19600932

CC(C)(C)OC(=O)N1CCC(N2CCN(CC(=O)OCc3ccccc3)CC2)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.49
STS P08842 1/20 0.48
GPR119 Q8TDV5 2/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
CHRM2 P08172 1/20 0.47
CHRM4 P08173 1/20 0.47
CHRM1 P11229 1/20 0.47
CHRM3 P20309 1/20 0.47
YAP1 P46937 2/20 0.47
JAK2 O60674 1/20 0.46
JAK1 P23458 1/20 0.46
KDM4E B2RXH2 1/20 0.46
PKM P14618 1/20 0.46
CYP2C19 P33261 1/20 0.46
MAPT P10636 1/20 0.45
MAPK1 P28482 1/20 0.45

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
SCHEMBL7526966 0.89 CHRM2 (0.57) HTTSTSMEN1KMT2ACHRM2
SCHEMBL12004666 0.89 CHRM2 (0.57) HTTSTSMEN1KMT2ACHRM2
SCHEMBL14129449 0.89 CHRM2 (0.57) HTTSTSMEN1KMT2ACHRM2
SCHEMBL21933859 0.88 MEN1 (0.50) HTTSTSGPR119SMN1; SMN2NPC1
SCHEMBL119649 0.88 SMN1; SMN2 (0.58) HTTSTSGPR119SMN1; SMN2NPC1
SCHEMBL310136 0.88 SMN1; SMN2 (0.58) HTTSTSGPR119SMN1; SMN2NPC1
SCHEMBL19581147 0.86 MEN1 (0.45) HTTSTSMEN1KMT2ACHRM2
SCHEMBL25134189 0.86 CHRM2 (0.54) HTTMEN1KMT2ACHRM2CHRM4
SCHEMBL27162130 0.86 SMN1; SMN2 (0.51) HTTSTSGPR119SMN1; SMN2NPC1
SCHEMBL3779080 0.85 CHRM4 (0.56) STSGPR119SMN1; SMN2CHRM4KDM4E

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-20200055825-A1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF ANDROGEN RECEPTOR Arvinas, Inc. 2020-02-20 US disclosed
US-20170327469-A1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF ANDROGEN RECEPTOR ARVINAS OPERATIONS, INC. 2017-11-16 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-20200055825-A1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF ANDROGEN RECEPTOR AR, MDM2, ESRRA HTT 1845/4885STS 453/4885GPR119 1030/4885
US-20170327469-A1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF ANDROGEN RECEPTOR AR, MDM2, ESRRA HTT 1845/4885STS 453/4885GPR119 1030/4885

“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.