SCHEMBL2309957

SCHEMBL2309957

O=C(NCC(=O)N1CCN(c2ccc(OCc3ccccc3)cc2)CC1)c1ccnc(F)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.52
KDM4E B2RXH2 3/20 0.52
GAA P10253 1/20 0.50
SLC6A7 Q99884 1/20 0.50
LMNA P02545 3/20 0.49
ALDH1A1 P00352 2/20 0.49
NPSR1 Q6W5P4 1/20 0.49
KMT2A Q03164 3/20 0.48
GRM5 P41594 2/20 0.47
USP2 O75604 1/20 0.47
MAPK1 P28482 1/20 0.47
ESR2 Q92731 1/20 0.47
TAAR1 Q96RJ0 1/20 0.47
POLB P06746 1/20 0.46
HTT P42858 2/20 0.45
HPGD P15428 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
KDM1A O60341 2/20 0.44
MAOA P21397 2/20 0.44
MAOB P27338 2/20 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
SCHEMBL12206763 1.00 MAPT (0.52) MAPTKDM4EGAASLC6A7LMNA
SCHEMBL2314421 0.89 MAPT (0.52) MAPTKDM4EGAASLC6A7LMNA
SCHEMBL12206776 0.89 SLC6A7 (0.48) MAPTGAASLC6A7LMNAALDH1A1
SCHEMBL2309820 0.89 SLC6A7 (0.48) MAPTGAASLC6A7LMNAALDH1A1
SCHEMBL12293867 0.88 SLC6A7 (0.52) MAPTKDM4EGAASLC6A7LMNA
SCHEMBL2312241 0.87 KMT2A (0.49) MAPTKDM4EGAALMNAKMT2A
SCHEMBL12206786 0.87 KMT2A (0.49) MAPTKDM4EGAALMNAKMT2A
SCHEMBL2311957 0.86 MAPT (0.55) MAPTKDM4EGAASLC6A7LMNA
SCHEMBL12206753 0.86 MAPT (0.55) MAPTKDM4EGAASLC6A7LMNA
SCHEMBL12206662 0.86 MAPT (0.61) MAPTKDM4EGAASLC6A7LMNA

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 9 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
CN-102149681-A Piperazine derivatives for binding and imaging amyloid plaques and their use BAYER SCHERING PHARMA AG 2011-08-10 CN 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
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
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 14/4885KDM4E 4658/4885GAA 2063/4885

“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.