SCHEMBL4806928

SCHEMBL4806928

O=C(CCl)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 2/20 0.48
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
OPRD1 P41143 2/20 0.44
OPRK1 P41145 2/20 0.44
CHRM4 P08173 3/20 0.42
OPRL1 P41146 2/20 0.41
NAMPT P43490 1/20 0.41
HDAC3 O15379 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
OPRM1 P35372 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL5372796 0.85 ALDH1A1 (0.52) ALDH1A1PKLRMEN1KMT2AOPRD1
SCHEMBL4815044 0.84 ALDH1A1 (0.67) ALDH1A1PKLRMEN1KMT2AOPRD1
SCHEMBL3139132 0.82 OPRL1 (0.61) MEN1KMT2AOPRD1OPRK1CHRM4
SCHEMBL4812915 0.78 ALDH1A1 (0.55) ALDH1A1MEN1KMT2AOPRD1OPRK1
SCHEMBL5727155 0.78 OPRL1 (0.63) ALDH1A1KMT2ACHRM4OPRL1OPRM1
SCHEMBL15807270 0.77 PKLR (0.47) ALDH1A1PKLRMEN1KMT2AOPRD1
Hydrochloric Acid SCHEMBL4812106 0.77 POLB (0.64) ALDH1A1KMT2ACHRM4OPRL1OPRM1
SCHEMBL23231378 0.77 MEN1 (0.47) PKLRMEN1KMT2AOPRD1OPRK1
SCHEMBL4810072 0.75 ALDH1A1 (0.48) ALDH1A1PKLRMEN1KMT2AHDAC3
SCHEMBL5631358 0.75 PKLR (0.44) ALDH1A1PKLRMEN1KMT2AOPRD1

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 10 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 disclosed
US-7294628-B2 Piperazinylacylpiperidine derivatives, their preparation and therapeutic use thereof SANOFI-AVENTIS (FR) 2007-11-13 US disclosed
EP-1513835-B1 PIPERAZINYLACYLPIPERIDINE DERIVATIVES, THEIR PREPARATION AND THERAPEUTIC USE THEREOF SANOFI AVENTIS (FR) 2006-08-16 EP disclosed
US-20060167007-A1 Piperazinylacylpiperidine derivatives, their preparation and therapeutic use thereof SANOFI-AVENTIS (FR) 2006-07-27 US disclosed
EP-1513836-B1 PIPERAZINYLACYLPIPERIDINE DERIVATIVES, THEIR PREPARATION AND THERAPEUTIC USE THEREOF SANOFI AVENTIS (FR) 2006-05-03 EP disclosed
US-20050176722-A1 Piperazinylacylpiperidine derivatives, their preparation and therapeutic use thereof SANOFI-AVENTIS (FR) 2005-08-11 US disclosed
EP-1513836-A1 PIPERAZINYLACYLPIPERIDINE DERIVATIVES, THEIR PREPARATION AND THERAPEUTIC USE THEREOF Sanofi-Aventis (FR) 2005-03-16 EP disclosed
EP-1513835-A1 PIPERAZINYLACYLPIPERIDINE DERIVATIVES, THEIR PREPARATION AND THERAPEUTIC USE THEREOF Sanofi-Aventis (FR) 2005-03-16 EP disclosed
WO-2003104226-A1 PIPERAZINYLACYLPIPERIDINE DERIVATIVES, THEIR PREPARATION AND THERAPEUTIC USE THEREOF SANOFI-SYNTHELABO (FR) 2003-12-18 WO 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 (2 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-20060167007-A1 Piperazinylacylpiperidine derivatives, their preparation and therapeutic use thereof NR5A2, NR3C2, NR3C1 ALDH1A1 509/4885PKLR 3764/4885MEN1 4612/4885
US-20050176722-A1 Piperazinylacylpiperidine derivatives, their preparation and therapeutic use thereof NR5A2, NR3C1, CBR1 ALDH1A1 445/4885PKLR 4020/4885MEN1 4550/4885

“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.