SCHEMBL19600735

SCHEMBL19600735

COC(=O)c1ccc(N2CCC(N3CCN(CC(=O)OCc4ccccc4)CC3)CC2)nc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 6/20 0.54
RAB9A P51151 3/20 0.53
NPC1 O15118 2/20 0.53
KMT2A Q03164 2/20 0.53
ALDH1A1 P00352 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
LMNA P02545 1/20 0.46
MAPT P10636 1/20 0.46
TSHR P16473 1/20 0.46
HDAC1 Q13547 4/20 0.45
P2RY12 Q9H244 1/20 0.43
HDAC3 O15379 1/20 0.41
CYP2C9 P11712 1/20 0.41
SLC6A4 P31645 1/20 0.41
SLC6A3 Q01959 1/20 0.41
MAPKAPK3 Q16644 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
MEN1 O00255 1/20 0.41
CRBN Q96SW2 2/20 0.41

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
SCHEMBL19580818 0.88 RAB9A (0.47) HRH3RAB9ANPC1KMT2AALDH1A1
SCHEMBL19600734 0.86 HRH3 (0.62) HRH3RAB9ANPC1KMT2AALDH1A1
SCHEMBL19580857 0.80 P2RY12 (0.49) HRH3RAB9ANPC1KMT2AALDH1A1
SCHEMBL19580786 0.78 P2RY12 (0.49) HRH3RAB9ANPC1KMT2AALDH1A1
SCHEMBL23582671 0.78 RAB9A (0.55) HRH3RAB9ANPC1KMT2AALDH1A1
SCHEMBL9210265 0.77 HRH3 (0.69) HRH3RAB9ANPC1KMT2AALDH1A1
SCHEMBL3767435 0.77 HRH3 (0.68) HRH3RAB9ANPC1KMT2AP2RY12
SCHEMBL9210414 0.76 KMT2A (0.72) RAB9ANPC1KMT2AALDH1A1SMN1; SMN2
SCHEMBL9204223 0.76 HRH3 (0.73) HRH3RAB9ANPC1KMT2AHDAC1
SCHEMBL19581133 0.75 P2RY12 (0.46) HRH3RAB9ANPC1KMT2AALDH1A1

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 HRH3 3784/4885RAB9A 4010/4885NPC1 1813/4885
US-20170327469-A1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF ANDROGEN RECEPTOR AR, MDM2, ESRRA HRH3 3784/4885RAB9A 4010/4885NPC1 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.