SCHEMBL4815951

SCHEMBL4815951

O=C(CN1CCN(c2cnccn2)CC1)N1CCC(O)(c2ccccc2C(F)(F)F)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A7 Q99884 1/20 0.41
IRAK4 Q9NWZ3 1/20 0.41
MAPK1 P28482 1/20 0.41
ALDH1A1 P00352 6/20 0.41
MAPT P10636 4/20 0.41
LMNA P02545 3/20 0.41
GAA P10253 2/20 0.41
EPHX2 P34913 1/20 0.40
KDM4E B2RXH2 3/20 0.40
NPSR1 Q6W5P4 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
RBP4 P02753 1/20 0.40
CYP3A4 P08684 1/20 0.40
DRD2 P14416 1/20 0.39
DRD4 P21917 1/20 0.39
DRD3 P35462 1/20 0.39
TSHR P16473 1/20 0.39
ALOX12 P18054 1/20 0.39

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
SCHEMBL4812861 0.88 IRAK4 (0.40) SLC6A7IRAK4MAPK1ALDH1A1MAPT
SCHEMBL4819635 0.87 ADRA1D (0.42) SLC6A7IRAK4MAPK1ALDH1A1MAPT
SCHEMBL4807083 0.83 KDM4E (0.49) IRAK4MAPK1ALDH1A1MAPTLMNA
Trifluoroacetic Acid SCHEMBL4810619 0.79 TACR1 (0.42) SLC6A7IRAK4ALDH1A1MAPTEPHX2
SCHEMBL4810072 0.79 ALDH1A1 (0.48) SLC6A7IRAK4ALDH1A1LMNAEPHX2
SCHEMBL4812798 0.77 JAK1 (0.41) SLC6A7IRAK4MAPK1ALDH1A1MAPT
SCHEMBL5760860 0.76 SLC6A7 (0.46) SLC6A7ALDH1A1MAPTLMNAGAA
SCHEMBL4811981 0.76 KDM4E (0.48) IRAK4ALDH1A1MAPTLMNAGAA
SCHEMBL4812357 0.75 ALDH1A1 (0.61) ALDH1A1LMNAMEN1KMT2ASMN1; SMN2
SCHEMBL2809020 0.75 KDM4E (0.47) IRAK4ALDH1A1MAPTLMNAKDM4E

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-7468368-B2 Piperazinylacylpiperidine derivatives, their preparation and therapeutic use thereof SANOFI AVENTIS (FR) 2008-12-23 US claimed
US-20050176722-A1 Piperazinylacylpiperidine derivatives, their preparation and therapeutic use thereof SANOFI-AVENTIS (FR) 2005-08-11 US claimed
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
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 SLC6A7 661/4885IRAK4 1677/4885MAPK1 2442/4885

“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.