SCHEMBL4810072

SCHEMBL4810072

O=C(CN1CCN(c2cnccn2)CC1)N1CCC(O)(c2cccc(OC(F)(F)F)c2)CC1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.48
PKLR P30613 1/20 0.44
ENPP2 Q13822 2/20 0.42
NPY1R P25929 1/20 0.42
EPHX2 P34913 1/20 0.41
IRAK4 Q9NWZ3 1/20 0.40
LMNA P02545 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
HRH3 Q9Y5N1 3/20 0.39
HDAC3 O15379 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
SLC6A7 Q99884 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
SCHEMBL4812357 0.89 ALDH1A1 (0.61) ALDH1A1PKLRNPY1RLMNAMEN1
SCHEMBL4807083 0.87 KDM4E (0.49) ALDH1A1IRAK4LMNAMEN1KMT2A
SCHEMBL5631358 0.83 PKLR (0.44) ALDH1A1PKLRENPP2MEN1KMT2A
SCHEMBL4815951 0.79 SLC6A7 (0.41) ALDH1A1EPHX2IRAK4LMNAMEN1
SCHEMBL4814942 0.79 OPRM1 (0.50) ALDH1A1LMNA
SCHEMBL4814964 0.78 ALDH1A1 (0.48) ALDH1A1NPY1RLMNAMEN1KMT2A
SCHEMBL4808418 0.77 KMT2A (0.48) ALDH1A1NPY1RLMNAMEN1KMT2A
SCHEMBL4811981 0.77 KDM4E (0.48) ALDH1A1IRAK4LMNAMEN1KMT2A
Trifluoroacetic Acid SCHEMBL4810619 0.77 TACR1 (0.42) ALDH1A1EPHX2IRAK4MEN1KMT2A
SCHEMBL2809020 0.76 KDM4E (0.47) ALDH1A1IRAK4LMNAMEN1KMT2A

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 ALDH1A1 445/4885PKLR 4020/4885ENPP2 2404/4885

“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.