SCHEMBL5631358

SCHEMBL5631358

O=C(CN1CCN(c2nccs2)CC1)N1CCC(O)(c2cccc(OC(F)(F)F)c2)CC1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PKLR P30613 1/20 0.44
ALDH1A1 P00352 3/20 0.42
ENPP2 Q13822 2/20 0.41
SCD O00767 1/20 0.41
KCNA5 P22460 2/20 0.40
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.38
SLC6A7 Q99884 1/20 0.38
PIM1 P11309 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
CTSA P10619 1/20 0.37
DRD2 P14416 1/20 0.37
DRD4 P21917 1/20 0.37
MLYCD O95822 1/20 0.37
OPRD1 P41143 1/20 0.36
OPRK1 P41145 1/20 0.36

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
SCHEMBL5629030 0.89 ALDH1A1 (0.54) PKLRALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL5630751 0.87 OPRM1 (0.47) PKLRALDH1A1SCDKMT2AMEN1
SCHEMBL5727585 0.84 DRD4 (0.40) ALDH1A1SCDKMT2ASLC6A7DRD2
SCHEMBL4810072 0.83 ALDH1A1 (0.48) PKLRALDH1A1ENPP2KMT2AMEN1
SCHEMBL5629140 0.80 OPRM1 (0.47) ALDH1A1SCDKMT2AMEN1SMN1; SMN2
SCHEMBL5632492 0.77 SCD (0.42) ALDH1A1SCDKMT2AMEN1SMN1; SMN2
SCHEMBL5727717 0.76 SCD (0.43) ALDH1A1SCDKMT2AMEN1SLC6A7
SCHEMBL5628723 0.76 SLC6A4 (0.44) ALDH1A1SCDKMT2AMEN1SLC6A7
Hydrochloric Acid SCHEMBL5628471 0.76 SLC6A4 (0.44) ALDH1A1SCDKMT2AMEN1SLC6A7
SCHEMBL4806928 0.75 ALDH1A1 (0.48) PKLRALDH1A1KMT2AMEN1SMN1; 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7294628-B2 Piperazinylacylpiperidine derivatives, their preparation and therapeutic use thereof SANOFI-AVENTIS (FR) 2007-11-13 US claimed
US-20060167007-A1 Piperazinylacylpiperidine derivatives, their preparation and therapeutic use thereof SANOFI-AVENTIS (FR) 2006-07-27 US claimed
US-7294628-B2 Piperazinylacylpiperidine derivatives, their preparation and therapeutic use thereof SANOFI-AVENTIS (FR) 2007-11-13 US 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
EP-1513836-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

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-20060167007-A1 Piperazinylacylpiperidine derivatives, their preparation and therapeutic use thereof NR5A2, NR3C2, NR3C1 PKLR 3764/4885ALDH1A1 509/4885ENPP2 2746/4885

“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.