SCHEMBL19601012

SCHEMBL19601012

CC1(C)CC(C)(C)C1NC(=O)c1ccc(N2CCN(C3CC(O)C3)CC2)nc1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.41
HPGDS O60760 5/20 0.40
HRH3 Q9Y5N1 3/20 0.40
HDAC3 O15379 1/20 0.40
HDAC10 Q969S8 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
KMT2A Q03164 2/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
USP30 Q70CQ3 3/20 0.39
HDAC2 Q92769 2/20 0.39
DRD2 P14416 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
SCHEMBL19600883 0.88 HPGDS (0.43) HDAC1HPGDSHRH3HDAC3HDAC10
SCHEMBL20076245 0.81 HPGDS (0.56) HDAC1HPGDSHDAC3HDAC10HDAC6
SCHEMBL22873387 0.78 HPGDS (0.44) HPGDSHRH3HDAC3HDAC10HDAC6
SCHEMBL29817233 0.78 OGA (0.48) HDAC1HRH3KMT2ANPC1RAB9A
SCHEMBL19581011 0.78 OGA (0.48) HDAC1HRH3KMT2ANPC1RAB9A
SCHEMBL20075923 0.78 DDB1 (0.52) HDAC1HRH3KMT2AUSP30
SCHEMBL23158449 0.77 HPGDS (0.45) HPGDSHRH3HDAC10HDAC6KMT2A
SCHEMBL19581123 0.76 AR (0.60)
SCHEMBL19581121 0.76 AR (0.60)
SCHEMBL19600790 0.75 HPGDS (0.50) HDAC1HPGDSHDAC3HDAC10HDAC6

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (1 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-20170327469-A1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF ANDROGEN RECEPTOR AR, MDM2, ESRRA HDAC1 500/4885HPGDS 2344/4885HRH3 3784/4885

“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.