SCHEMBL4807294

SCHEMBL4807294

O=C(CN1CCN(c2cnccn2)CC1)N1CC=C(c2ccc(Cl)c(C(F)(F)F)c2)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.46
ALDH1A1 P00352 3/20 0.46
LMNA P02545 2/20 0.46
GAA P10253 1/20 0.46
NAMPT P43490 6/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
TRPV1 Q8NER1 4/20 0.41
IRAK4 Q9NWZ3 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
P2RX7 Q99572 1/20 0.39
TP53 P04637 1/20 0.38
SLC6A7 Q99884 1/20 0.38
LIMK1 P53667 1/20 0.37
LIMK2 P53671 1/20 0.37

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
SCHEMBL4814062 0.87 ALDH1A1 (0.48) MAPTALDH1A1LMNAGAAMEN1
SCHEMBL186236 0.86 TRPV1 (0.39) MAPTALDH1A1LMNAGAANAMPT
SCHEMBL4813430 0.86 NAMPT (0.49) NAMPTSMN1; SMN2DRD2DRD4SLC6A7
SCHEMBL4812798 0.83 JAK1 (0.41) MAPTALDH1A1LMNAGAANAMPT
SCHEMBL1726251 0.79 MAPT (0.46) MAPTALDH1A1LMNAGAANAMPT
SCHEMBL2179068 0.79 NAMPT (0.44) MAPTNAMPTDRD2DRD4DRD3
SCHEMBL1726551 0.79 NAMPT (0.41) NAMPTTRPV1P2RX7
SCHEMBL6183115 0.78 MAPT (0.44) MAPTALDH1A1LMNAGAAMEN1
SCHEMBL186012 0.78 MAPT (0.44) MAPTALDH1A1LMNAGAANAMPT
SCHEMBL1578182 0.77 TRPV1 (0.42) MAPTALDH1A1MEN1KMT2ASMN1; SMN2

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 MAPT 4412/4885ALDH1A1 445/4885LMNA 3481/4885

“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.