SCHEMBL19600754

SCHEMBL19600754

CC1(C)CC(C)(C)C1OC(=O)c1ccc(N2CCNCC2)nc1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
KMT2A Q03164 1/20 0.46
CRBN Q96SW2 4/20 0.46
HPGDS O60760 1/20 0.44
HDAC1 Q13547 4/20 0.44
HDAC10 Q969S8 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
KCNH2 Q12809 1/20 0.44
HDAC2 Q92769 6/20 0.43
HDAC3 O15379 4/20 0.43
HRH3 Q9Y5N1 3/20 0.42
DDB1 Q16531 2/20 0.42

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
SCHEMBL532001 0.81 RAB9A (0.67) NPC1RAB9AKMT2ACRBNHPGDS
SCHEMBL20076245 0.80 HPGDS (0.56) HPGDSHDAC1HDAC10HDAC6KCNH2
Hydrochloric Acid SCHEMBL19283913 0.80 KMT2A (0.66) NPC1RAB9AKMT2ACRBNHPGDS
SCHEMBL20423547 0.78 CRBN (0.57) NPC1RAB9AKMT2ACRBNHPGDS
SCHEMBL386639 0.78 P2RY12 (0.60) NPC1RAB9AKMT2ACRBNHPGDS
Hydrochloric Acid SCHEMBL25232851 0.77 P2RY12 (0.59) NPC1RAB9AKMT2ACRBNHPGDS
Hydrochloric Acid SCHEMBL31570844 0.77 P2RY12 (0.59) NPC1RAB9AKMT2ACRBNHPGDS
SCHEMBL5204132 0.77 RAB9A (0.62) NPC1RAB9AKMT2ACRBNHPGDS
SCHEMBL4935859 0.76 MAPT (0.51) NPC1RAB9AKMT2AHPGDSHDAC1
SCHEMBL19601042 0.76 HRH3 (0.45) NPC1RAB9AKMT2ACRBNHRH3

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 NPC1 1813/4885RAB9A 4010/4885KMT2A 1478/4885

“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.