SCHEMBL2306331

SCHEMBL2306331

O=C(NCC(=O)N1CCN(c2ccc(NC(=O)c3ccccc3)cc2)CC1)c1cccc(OCCF)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.60
LMNA P02545 3/20 0.60
ALDH1A1 P00352 3/20 0.60
NPSR1 Q6W5P4 2/20 0.60
KDM4E B2RXH2 1/20 0.60
KMT2A Q03164 4/20 0.57
USP2 O75604 2/20 0.57
MAPK1 P28482 2/20 0.57
ESR2 Q92731 1/20 0.57
TAAR1 Q96RJ0 1/20 0.57
TSHR P16473 1/20 0.57
TDP1 Q9NUW8 2/20 0.55
HPGD P15428 1/20 0.55
HTT P42858 1/20 0.55
NPC1 O15118 3/20 0.55
RAB9A P51151 3/20 0.55
MEN1 O00255 1/20 0.55
SMN1; SMN2 Q16637 2/20 0.52
HTR1A P08908 1/20 0.51
HTR1D P28221 1/20 0.51

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
SCHEMBL12206693 1.00 MAPT (0.60) MAPTLMNAALDH1A1NPSR1KDM4E
SCHEMBL2308239 0.93 KMT2A (0.61) MAPTLMNAALDH1A1NPSR1KDM4E
SCHEMBL12206741 0.93 KMT2A (0.61) MAPTLMNAALDH1A1NPSR1KDM4E
SCHEMBL2827210 0.87 KMT2A (0.54) MAPTLMNAALDH1A1NPSR1KDM4E
SCHEMBL2309885 0.87 MAPT (0.59) MAPTLMNAALDH1A1NPSR1KDM4E
SCHEMBL12206689 0.87 MAPT (0.59) MAPTLMNAALDH1A1NPSR1KDM4E
SCHEMBL2827204 0.86 KMT2A (0.53) MAPTLMNAKDM4EKMT2ATSHR
SCHEMBL2306706 0.85 MAPT (0.61) MAPTLMNAALDH1A1NPSR1KDM4E
SCHEMBL2306958 0.84 MAPT (0.54) MAPTLMNAALDH1A1NPSR1KDM4E
SCHEMBL2309688 0.83 MAPT (0.64) MAPTLMNAALDH1A1NPSR1KDM4E

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 7 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
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 14/4885LMNA 1212/4885ALDH1A1 3284/4885

“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.