SCHEMBL4813147

SCHEMBL4813147

CC(=O)OCC1(c2cccc(C(F)(F)F)c2)CCN(C(=O)O)CC1

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 11/20 0.53
CCR2 P41597 1/20 0.44
OPRM1 P35372 3/20 0.44
OPRL1 P41146 2/20 0.44
SLC6A4 P31645 4/20 0.43
SLC6A3 Q01959 2/20 0.43
SLC6A2 P23975 1/20 0.43
EPHX2 P34913 1/20 0.42

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
SCHEMBL4816350 0.88 TACR1 (0.48) TACR1OPRL1SLC6A4SLC6A3SLC6A2
SCHEMBL3594500 0.83 OPRM1 (0.48) TACR1CCR2OPRM1OPRL1SLC6A4
SCHEMBL5628554 0.83 TACR1 (0.56) TACR1CCR2SLC6A4SLC6A3SLC6A2
SCHEMBL3132000 0.82 SLC6A4 (0.64) TACR1CCR2OPRM1OPRL1SLC6A4
SCHEMBL3136572 0.82 SLC6A4 (0.66) TACR1CCR2OPRM1OPRL1SLC6A4
SCHEMBL4814723 0.78 OPRM1 (0.47) TACR1CCR2OPRM1OPRL1
SCHEMBL2925749 0.77 OPRM1 (0.63) OPRM1OPRL1
SCHEMBL4814133 0.76 OPRM1 (0.45) TACR1CCR2OPRM1OPRL1SLC6A4
SCHEMBL700901 0.76 OPRM1 (0.49) TACR1CCR2OPRM1OPRL1SLC6A4
SCHEMBL4407248 0.76 TACR1 (0.62) TACR1CCR2OPRM1OPRL1SLC6A4

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 TACR1 96/4885CCR2 295/4885OPRM1 104/4885
US-20050176722-A1 Piperazinylacylpiperidine derivatives, their preparation and therapeutic use thereof NR5A2, NR3C1, CBR1 TACR1 104/4885CCR2 360/4885OPRM1 52/4885

“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.