SCHEMBL2306481

SCHEMBL2306481

O=C(CCC(=O)N1CCN(c2ccc(OCc3ccccc3)cc2)CC1)c1ccc(O)cc1

nearest known ligand 0.65

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.65
GAA P10253 4/20 0.65
KDM4E B2RXH2 3/20 0.65
NPC1 O15118 2/20 0.65
ME2 P23368 4/20 0.62
ME1 P48163 4/20 0.62
ME3 Q16798 4/20 0.62
EGFR P00533 3/20 0.55
POLB P06746 2/20 0.54
PKM P14618 1/20 0.54
RECQL P46063 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
MEN1 O00255 1/20 0.53
PSMD14 O00487 1/20 0.53
MMP2 P08253 1/20 0.53
KMT2A Q03164 1/20 0.53
RAB9A P51151 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
SLC6A7 Q99884 1/20 0.53

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
SCHEMBL12206736 0.91 MAPT (0.58) MAPTGAAKDM4ENPC1ME2
SCHEMBL12206654 0.91 MAPT (0.58) MAPTGAAKDM4ENPC1ME2
SCHEMBL2313406 0.90 MAPT (0.58) MAPTGAAKDM4ENPC1ME2
SCHEMBL2309047 0.82 MAPT (0.54) MAPTGAAKDM4ENPC1ME2
SCHEMBL2312575 0.81 ME2 (0.64) MAPTGAAKDM4ENPC1ME2
SCHEMBL945189 0.80 ME2 (0.60) MAPTGAAKDM4ENPC1ME2
Hydrochloric Acid SCHEMBL2309495 0.79 ME2 (0.58) MAPTGAAKDM4ENPC1ME2
SCHEMBL2822450 0.79 MAPT (0.77) MAPTGAAKDM4ENPC1ME2
SCHEMBL2822446 0.79 MAPT (0.77) MAPTGAAKDM4ENPC1ME2
SCHEMBL3083321 0.78 MAPT (0.71) MAPTGAANPC1POLBMEN1

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 6 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
US-20110250135-A1 Piperazine Derivatives for Binding and Imaging Amyloid Plaques and Their Use BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-10-13 US disclosed
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
WO-2010028776-A1 PIPERAZINE DERIVATIVES FOR BINDING AND IMAGING AMYLOID PLAQUES AND THEIR USE BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-03-18 WO disclosed
EP-2163541-A1 Piperazine derivatives for binding and imaging amyloid plaques and their use Bayer Schering Pharma Aktiengesellschaft (DE) 2010-03-17 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 MAPT 14/4885GAA 2063/4885KDM4E 4658/4885

“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.