SCHEMBL4819635

SCHEMBL4819635

N#CC1(c2ccccc2C(F)(F)F)CCN(C(=O)CN2CCN(c3cnccn3)CC2)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA1D P25100 1/20 0.42
ADRA1A P35348 1/20 0.42
ADRA1B P35368 1/20 0.42
BDKRB1 P46663 2/20 0.39
IRAK4 Q9NWZ3 1/20 0.39
SLC6A7 Q99884 1/20 0.39
MAPK1 P28482 1/20 0.39
ALDH1A1 P00352 5/20 0.39
GAA P10253 2/20 0.39
MAPT P10636 2/20 0.39
LMNA P02545 2/20 0.39
EPHX2 P34913 1/20 0.38
DRD2 P14416 2/20 0.38
DRD3 P35462 2/20 0.38
KDM4E B2RXH2 3/20 0.38
NPSR1 Q6W5P4 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
RBP4 P02753 1/20 0.38

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
SCHEMBL4815951 0.87 SLC6A7 (0.41) IRAK4SLC6A7MAPK1ALDH1A1GAA
SCHEMBL4812861 0.85 IRAK4 (0.40) IRAK4SLC6A7MAPK1ALDH1A1GAA
SCHEMBL4812928 0.84 KDM4E (0.47) BDKRB1IRAK4ALDH1A1GAAMAPT
SCHEMBL4808795 0.80 GFER (0.43) SLC6A7ALDH1A1DRD2KDM4ESMN1; SMN2
SCHEMBL4813979 0.79 MEN1 (0.45) IRAK4SLC6A7ALDH1A1GAADRD2
SCHEMBL4808418 0.77 KMT2A (0.48) ALDH1A1LMNAMEN1KMT2ATSHR
SCHEMBL4813346 0.76 ADRA1D (0.52) ADRA1DADRA1AADRA1BBDKRB1ALDH1A1
SCHEMBL4812798 0.74 JAK1 (0.41) IRAK4SLC6A7MAPK1ALDH1A1GAA
Trifluoroacetic Acid SCHEMBL4810619 0.74 TACR1 (0.42) IRAK4SLC6A7ALDH1A1MAPTEPHX2
SCHEMBL4807083 0.74 KDM4E (0.49) IRAK4MAPK1ALDH1A1MAPTLMNA

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
CN-100448875-C Substituted 1-piperazinoylpiperidine derivatives, their preparation and therapeutic use SANOFI AVENTIS (FR) 2009-01-07 CN disclosed
US-7468368-B2 Piperazinylacylpiperidine derivatives, their preparation and therapeutic use thereof SANOFI AVENTIS (FR) 2008-12-23 US disclosed
EP-1513835-B1 PIPERAZINYLACYLPIPERIDINE DERIVATIVES, THEIR PREPARATION AND THERAPEUTIC USE THEREOF SANOFI AVENTIS (FR) 2006-08-16 EP disclosed
CN-1675203-A Substituted 1-piperazinoylpiperidine derivatives, their preparation and therapeutic use SANOFI AVENTIS (FR) 2005-09-28 CN disclosed
US-20050176722-A1 Piperazinylacylpiperidine derivatives, their preparation and therapeutic use thereof SANOFI-AVENTIS (FR) 2005-08-11 US disclosed
EP-1513835-A1 PIPERAZINYLACYLPIPERIDINE DERIVATIVES, THEIR PREPARATION AND THERAPEUTIC USE THEREOF Sanofi-Aventis (FR) 2005-03-16 EP disclosed
WO-2003104225-A1 PIPERAZINYLACYLPIPERIDINE DERIVATIVES, THEIR PREPARATION AND THERAPEUTIC USE THEREOF SANOFI-SYNTHELABO (FR) 2003-12-18 WO 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-20050176722-A1 Piperazinylacylpiperidine derivatives, their preparation and therapeutic use thereof NR5A2, NR3C1, CBR1 ADRA1D 29/4885ADRA1A 26/4885ADRA1B 99/4885

“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.