SCHEMBL19601042

SCHEMBL19601042

CC1(C)CC(C)(C)C1OC(=O)c1ccc(N2CCN([C@H]3C[C@@H](OCC(=O)O)C3)CC2)nc1

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 13/20 0.45
KMT2A Q03164 2/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
MEN1 O00255 1/20 0.39
P2RY12 Q9H244 1/20 0.39
CRBN Q96SW2 2/20 0.37

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
SCHEMBL19601033 0.77 HRH3 (0.56) HRH3KMT2ANPC1RAB9A
SCHEMBL19600751 0.77 HRH3 (0.56) HRH3KMT2ANPC1RAB9A
SCHEMBL19600754 0.76 NPC1 (0.46) HRH3KMT2ANPC1RAB9ACRBN
SCHEMBL19581023 0.74 KMT2A (0.50) HRH3KMT2ANPC1RAB9AMEN1
SCHEMBL19600744 0.74 HRH3 (0.46) HRH3KMT2ANPC1RAB9AMEN1
SCHEMBL19600885 0.73 HRH3 (0.46) HRH3KMT2ANPC1RAB9AP2RY12
SCHEMBL19598759 0.73 HRH3 (0.52) HRH3KMT2ANPC1RAB9AMEN1
SCHEMBL19580874 0.72 SMO (0.51) HRH3KMT2ANPC1RAB9AMEN1
SCHEMBL19601012 0.69 HDAC1 (0.41) HRH3KMT2ANPC1RAB9A
SCHEMBL29817233 0.68 OGA (0.48) HRH3KMT2ANPC1RAB9AMEN1

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 HRH3 3784/4885KMT2A 1478/4885NPC1 1813/4885

“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.