SCHEMBL19600802

SCHEMBL19600802

CCCCOC(=O)c1ccc(N2CCC(CCN3CCN(CC(=O)OCC)CC3)C2)nc1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.42
P2RY12 Q9H244 1/20 0.41
USP30 Q70CQ3 1/20 0.39
DGAT1 O75907 1/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
LMNA P02545 1/20 0.38
HRH2 P25021 6/20 0.37
HRH1 P35367 6/20 0.37
KCNH2 Q12809 1/20 0.37
CCR3 P51677 1/20 0.37
NPY1R P25929 1/20 0.37
OGA O60502 1/20 0.37
HTR4 Q13639 1/20 0.37
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37
PKM P14618 1/20 0.37
KMT2A Q03164 1/20 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
SCHEMBL19600723 0.95 HRH3 (0.45) HRH3P2RY12USP30DGAT1LMNA
SCHEMBL19601071 0.88 HRH3 (0.47) HRH3P2RY12USP30DGAT1NPC1
SCHEMBL19580779 0.88 USP30 (0.42) HRH3P2RY12USP30DGAT1NPC1
SCHEMBL19581133 0.87 P2RY12 (0.46) HRH3P2RY12NPC1RAB9ALMNA
SCHEMBL19598752 0.82 PPARG (0.45) HRH3P2RY12USP30DGAT1HRH2
SCHEMBL19580877 0.82 HRH3 (0.44) HRH3P2RY12USP30DGAT1
SCHEMBL19580786 0.81 P2RY12 (0.49) HRH3P2RY12DGAT1NPC1RAB9A
SCHEMBL19600720 0.78 HRH3 (0.48) HRH3P2RY12DGAT1NPC1RAB9A
SCHEMBL19600800 0.78 HRH3 (0.49) HRH3P2RY12DGAT1NPC1RAB9A
SCHEMBL19599568 0.76 HRH3 (0.42) HRH3NPC1RAB9ALMNAKCNH2

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 3784/4885P2RY12 4874/4885USP30 118/4885

“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.