SCHEMBL7613129

SCHEMBL7613129

O=C(O)N[C@@H](Cc1ccccc1)[C@H](O)CNCc1ccc2c(c1)OCO2

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
HPGD P15428 2/20 0.52
NPC1 O15118 1/20 0.52
RAB9A P51151 1/20 0.52
BACE1 P56817 7/20 0.52
SLC6A11 P48066 1/20 0.52
BCHE P06276 5/20 0.51
ALDH1A1 P00352 2/20 0.48
KDM4E B2RXH2 1/20 0.48
TSHR P16473 1/20 0.48

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
SCHEMBL7613137 1.00 MEN1 (0.54) MEN1KMT2AHPGDNPC1RAB9A
SCHEMBL7610032 0.82 BACE1 (0.71) BACE1SLC6A11BCHE
SCHEMBL7610027 0.82 BACE1 (0.71) BACE1SLC6A11BCHE
SCHEMBL6891428 0.81 BACE1 (0.57) BACE1SLC6A11BCHE
SCHEMBL7607054 0.81 BACE1 (0.58) BACE1SLC6A11BCHE
SCHEMBL7611860 0.81 BACE1 (0.57) BACE1SLC6A11BCHE
SCHEMBL7607057 0.81 BACE1 (0.58) BACE1SLC6A11BCHE
SCHEMBL7611853 0.81 BACE1 (0.57) BACE1SLC6A11BCHE
SCHEMBL6895248 0.80 BACE1 (0.56) BACE1SLC6A11BCHE
SCHEMBL7607369 0.80 BACE1 (0.56) BACE1SLC6A11BCHE

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-20020128255-A1 Compounds to treat alzheimer's disease PHARMACIA & UPJOHN COMPANY 2002-09-12 US claimed

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-20020128255-A1 Compounds to treat alzheimer's disease PSEN2, PSEN1, APP MEN1 1558/4885KMT2A 1570/4885HPGD 580/4885

“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.