SCHEMBL19600790

SCHEMBL19600790

CC1(C)CC(C)(C)C1NC(=O)c1ccc(N2CCN(CC3CCNCC3)CC2)nc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 5/20 0.50
USP30 Q70CQ3 3/20 0.40
HDAC1 Q13547 2/20 0.40
PARP1 P09874 1/20 0.40
TNK2 Q07912 1/20 0.40
TNK1 Q13470 1/20 0.40
HDAC10 Q969S8 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
ALDH1A1 P00352 3/20 0.39
NPC1 O15118 2/20 0.39
TSHR P16473 2/20 0.39
RAB9A P51151 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
DRD2 P14416 1/20 0.39
HTR2A P28223 1/20 0.39
DRD3 P35462 1/20 0.39
KCNH2 Q12809 2/20 0.39
HDAC2 Q92769 3/20 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
SCHEMBL21744226 0.87 HPGDS (0.44) HPGDSUSP30HDAC1ALDH1A1NPC1
SCHEMBL20076245 0.86 HPGDS (0.56) HPGDSUSP30HDAC1HDAC10HDAC6
SCHEMBL22873387 0.81 HPGDS (0.44) HPGDSUSP30HDAC10HDAC6ALDH1A1
SCHEMBL23875271 0.80 HPGDS (0.46) HPGDSPARP1ALDH1A1NPC1RAB9A
SCHEMBL23158449 0.79 HPGDS (0.45) HPGDSUSP30HDAC10HDAC6ALDH1A1
SCHEMBL19600883 0.79 HPGDS (0.43) HPGDSUSP30HDAC1HDAC10HDAC6
SCHEMBL23128996 0.79 USP30 (0.41) HPGDSUSP30PARP1TNK2TNK1
SCHEMBL19580687 0.78 AR (0.57)
SCHEMBL19580685 0.78 AR (0.57)
SCHEMBL21743687 0.76 HRH3 (0.41) HPGDSUSP30HDAC10HDAC6DRD2

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 HPGDS 2344/4885USP30 118/4885HDAC1 500/4885
US-20170327469-A1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF ANDROGEN RECEPTOR AR, MDM2, ESRRA HPGDS 2344/4885USP30 118/4885HDAC1 500/4885

“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.