SCHEMBL4806364

SCHEMBL4806364

CC(=O)NC1(c2ccc(Cl)c(C(F)(F)F)c2)CCN(C(=O)CCl)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 8/20 0.43
OPRL1 P41146 7/20 0.43
OPRD1 P41143 3/20 0.43
OPRK1 P41145 2/20 0.43
CYP2C19 P33261 2/20 0.42
HTT P42858 1/20 0.42
EPHX2 P34913 1/20 0.42
TACR3 P29371 2/20 0.40
SCN1A P35498 1/20 0.40
SCN2A Q99250 1/20 0.40
SCN3A Q9NY46 1/20 0.40
ALDH1A1 P00352 3/20 0.39
GAA P10253 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
HTR1A P08908 1/20 0.39
ADRB3 P13945 1/20 0.39
DRD2 P14416 1/20 0.39
ADRA2B P18089 1/20 0.39
ADRA2C P18825 1/20 0.39

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
SCHEMBL4815806 0.88 CYP2C19 (0.44) OPRM1OPRL1OPRD1OPRK1CYP2C19
SCHEMBL4815302 0.82 OPRM1 (0.60) OPRM1OPRL1OPRD1OPRK1SCN1A
SCHEMBL4815864 0.81 OPRM1 (0.55) OPRM1OPRL1OPRD1OPRK1TACR3
SCHEMBL5726730 0.80 SLC6A2 (0.46) OPRM1OPRL1OPRD1OPRK1SLC6A2
Hydrochloric Acid SCHEMBL4806189 0.79 SLC6A2 (0.45) OPRM1OPRL1OPRD1SLC6A2SLC6A4
SCHEMBL904881 0.75 OPRM1 (0.73) OPRM1OPRL1OPRD1OPRK1TACR3
SCHEMBL14282297 0.72 OPRM1 (0.58) OPRM1OPRL1OPRD1OPRK1SCN1A
SCHEMBL14282236 0.71 OPRM1 (0.57) OPRM1OPRL1OPRD1OPRK1SCN1A
SCHEMBL4452522 0.70 CCR1 (0.66) CYP2C19
SCHEMBL14282241 0.69 OPRM1 (0.54) OPRM1OPRL1OPRD1OPRK1SCN1A

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-1513835-A1 PIPERAZINYLACYLPIPERIDINE DERIVATIVES, THEIR PREPARATION AND THERAPEUTIC USE THEREOF Sanofi-Aventis (FR) 2005-03-16 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
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 OPRM1 104/4885OPRL1 29/4885OPRD1 71/4885
US-20050176722-A1 Piperazinylacylpiperidine derivatives, their preparation and therapeutic use thereof NR5A2, NR3C1, CBR1 OPRM1 52/4885OPRL1 24/4885OPRD1 47/4885

“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.