SCHEMBL988322

SCHEMBL988322

O=C(NCC(=O)N1CCN(c2ccc(OCc3ccccc3)cc2)CC1)c1cccc(O)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.57
KDM4E B2RXH2 4/20 0.57
LMNA P02545 3/20 0.57
ALDH1A1 P00352 3/20 0.57
NPSR1 Q6W5P4 1/20 0.57
GAA P10253 3/20 0.56
KMT2A Q03164 4/20 0.55
USP2 O75604 1/20 0.54
MAPK1 P28482 1/20 0.54
ESR2 Q92731 1/20 0.54
TAAR1 Q96RJ0 1/20 0.54
HTT P42858 3/20 0.52
HPGD P15428 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
RAB9A P51151 2/20 0.51
POLB P06746 2/20 0.51
ME2 P23368 2/20 0.50
ME1 P48163 2/20 0.50
ME3 Q16798 2/20 0.50
MRGPRX4 Q96LA9 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
SCHEMBL12231799 0.90 MAPT (0.55) MAPTKDM4ELMNAALDH1A1NPSR1
SCHEMBL11946893 0.90 GAA (0.63) MAPTKDM4ELMNAALDH1A1NPSR1
SCHEMBL11947294 0.88 MAPT (0.57) MAPTKDM4ELMNAALDH1A1NPSR1
SCHEMBL2312882 0.88 MAPT (0.62) MAPTKDM4ELMNAALDH1A1NPSR1
SCHEMBL2309885 0.87 MAPT (0.59) MAPTKDM4ELMNAALDH1A1NPSR1
SCHEMBL12206689 0.87 MAPT (0.59) MAPTKDM4ELMNAALDH1A1NPSR1
Acetic Acid SCHEMBL1042674 0.87 MAPT (0.61) MAPTKDM4ELMNAALDH1A1NPSR1
SCHEMBL12206663 0.86 MAPT (0.51) MAPTKDM4ELMNAALDH1A1NPSR1
SCHEMBL12206662 0.85 MAPT (0.61) MAPTKDM4ELMNAGAAKMT2A
SCHEMBL2309957 0.85 MAPT (0.52) MAPTKDM4ELMNAALDH1A1NPSR1

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120189546-A1 Radiolabelling Method Using Cycloalkyl Groups BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-07-26 US disclosed
US-20120189546-A1 Radiolabelling Method Using Cycloalkyl Groups BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-07-26 US disclosed
US-20120189546-A1 Radiolabelling Method Using Cycloalkyl Groups BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-07-26 US disclosed
EP-2454230-A1 RADIOLABELLING METHOD USING CYCLOALKYL GROUPS Bayer Pharma Aktiengesellschaft (DE) 2012-05-23 EP 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
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-2011006621-A1 RADIOLABELLING METHOD USING CYCLOALKYL GROUPS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-01-20 WO disclosed
WO-2011006621-A1 RADIOLABELLING METHOD USING CYCLOALKYL GROUPS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-01-20 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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 4658/4885LMNA 1212/4885
US-20120189546-A1 Radiolabelling Method Using Cycloalkyl Groups TMEM14C, PAICS, QPCT MAPT 2575/4885KDM4E 3499/4885LMNA 2962/4885

“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.