SCHEMBL4812798

SCHEMBL4812798

O=C(CN1CCN(c2cnccn2)CC1)N1CC=C(c2ccccc2C(F)(F)F)CC1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 2/20 0.41
JAK2 O60674 1/20 0.41
EPHX2 P34913 1/20 0.41
NAMPT P43490 5/20 0.40
IRAK4 Q9NWZ3 1/20 0.40
SLC6A7 Q99884 1/20 0.40
MAPK1 P28482 1/20 0.39
ALDH1A1 P00352 2/20 0.39
GAA P10253 2/20 0.39
MAPT P10636 2/20 0.39
LMNA P02545 1/20 0.39
P2RX7 Q99572 2/20 0.38
HSD17B10 Q99714 1/20 0.38
KDM4E B2RXH2 1/20 0.38
DRD4 P21917 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
SCHEMBL4807294 0.83 MAPT (0.46) NAMPTIRAK4SLC6A7ALDH1A1GAA
SCHEMBL4813430 0.79 NAMPT (0.49) NAMPTSLC6A7KDM4EDRD4
SCHEMBL4815951 0.77 SLC6A7 (0.41) EPHX2IRAK4SLC6A7MAPK1ALDH1A1
SCHEMBL4812861 0.75 IRAK4 (0.40) EPHX2IRAK4SLC6A7MAPK1ALDH1A1
SCHEMBL4819635 0.74 ADRA1D (0.42) EPHX2NAMPTIRAK4SLC6A7MAPK1
SCHEMBL2178464 0.74 HTT (0.46) ALDH1A1MAPTLMNAHSD17B10KDM4E
SCHEMBL2179068 0.73 NAMPT (0.44) NAMPTSLC6A7MAPTDRD4
SCHEMBL2228921 0.71 MAPT (0.51) MAPK1ALDH1A1MAPTLMNAKDM4E
SCHEMBL3325476 0.71 MAPT (0.50) JAK1ALDH1A1GAAMAPT
SCHEMBL15203469 0.71 CHRM1 (0.42) ALDH1A1MAPTLMNAKDM4E

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 5 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

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 JAK1 3811/4885JAK2 2569/4885EPHX2 2661/4885

“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.