SCHEMBL2310924

SCHEMBL2310924

CC(C)(C)N(CC(=O)N1CCN(c2ccc(O)cc2)CC1)C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ME2 P23368 8/20 0.58
ME1 P48163 8/20 0.58
ME3 Q16798 8/20 0.58
MAPT P10636 7/20 0.50
GAA P10253 7/20 0.50
KDM4E B2RXH2 3/20 0.50
LMNA P02545 1/20 0.50
NPC1 O15118 2/20 0.49
TDP1 Q9NUW8 1/20 0.46
ALDH1A1 P00352 1/20 0.46
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
HPGD P15428 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
POLB P06746 1/20 0.44
PKM P14618 1/20 0.44
RECQL P46063 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
MAPK1 P28482 1/20 0.44
RAB9A P51151 1/20 0.44

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
SCHEMBL14524661 0.75 MAPT (0.67) ME2ME1ME3MAPTGAA
SCHEMBL23244397 0.74 ME2 (1.00) ME2ME1ME3MAPTGAA
Hydrochloric Acid SCHEMBL23244164 0.73 ME2 (0.97) ME2ME1ME3MAPTGAA
SCHEMBL13887688 0.72 MAPT (0.58) ME2ME1ME3MAPTGAA
SCHEMBL10981623 0.72 ME2 (0.64) ME2ME1ME3MAPTGAA
SCHEMBL2767991 0.72 ME2 (0.58) ME2ME1ME3MAPTGAA
SCHEMBL3466014 0.71 TDP1 (0.64) ME2ME1ME3MAPTGAA
SCHEMBL11916169 0.71 MAPT (0.54) ME2ME1ME3MAPTKDM4E
SCHEMBL4887482 0.71 GAA (0.38) GAAKMT2AHPGDPOLB
SCHEMBL23244396 0.71 ME2 (0.86) ME2ME1ME3MAPTGAA

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-20110250135-A1 Piperazine Derivatives for Binding and Imaging Amyloid Plaques and Their Use BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-10-13 US disclosed
EP-2350000-A1 PIPERAZINE DERIVATIVES FOR BINDING AND IMAGING AMYLOID PLAQUES AND THEIR USE Bayer Schering Pharma Aktiengesellschaft (DE) 2011-08-03 EP 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-20110250135-A1 Piperazine Derivatives for Binding and Imaging Amyloid Plaques and Their Use APP, APBA1, PSEN1 ME2 4546/4885ME1 4853/4885ME3 4707/4885

“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.