SCHEMBL4132233

SCHEMBL4132233

O=C1CCOc2ccccc2C1N1CCN(C(=O)O)CC1

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.40
CACNA1G O43497 1/20 0.38
OPRL1 P41146 3/20 0.38
LMNA P02545 2/20 0.37
TP53 P04637 1/20 0.37
TSHR P16473 1/20 0.37
GAA P10253 1/20 0.37

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
SCHEMBL4128516 0.76 CYP1A2 (0.44) NPSR1CACNA1GOPRL1
SCHEMBL4122362 0.74 OPRL1 (0.40) NPSR1OPRL1LMNATP53TSHR
SCHEMBL4120666 0.74 OPRL1 (0.40) NPSR1OPRL1LMNATP53TSHR
SCHEMBL4120669 0.74 OPRL1 (0.40) NPSR1OPRL1LMNATP53TSHR
SCHEMBL4122366 0.74 OPRL1 (0.40) NPSR1OPRL1LMNATP53TSHR
SCHEMBL4120673 0.74 OPRL1 (0.40) NPSR1OPRL1LMNATP53TSHR
SCHEMBL9940140 0.74 HTR2B (0.42) NPSR1OPRL1LMNATP53TSHR
SCHEMBL4137839 0.71 HTR2B (0.43) NPSR1LMNATP53TSHRGAA
SCHEMBL4137845 0.71 HTR2B (0.43) NPSR1LMNATP53TSHRGAA
SCHEMBL4137837 0.71 HTR2B (0.43) NPSR1LMNATP53TSHRGAA

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7612061-B2 Piperazine compounds LES LABORATOIRES SERVIER (FR) 2009-11-03 US disclosed
US-20090076030-A1 Piperazine compounds LES LABORATOIRES SERVIER (FR) 2009-03-19 US disclosed
US-20090075982-A1 Piperazine compounds LES LABORATOIRES SERVIER (FR) 2009-03-19 US disclosed
US-7465733-B2 Piperazine compounds LES LABORATOIRES SERVIER (FR) 2008-12-16 US disclosed
EP-1710240-B1 Piperazine derivatives and their use as serotonin reuptake inhibitors or as neurokinin antagonists SERVIER LAB (FR) 2007-12-05 EP disclosed
US-20060229318-A1 Piperazine compounds LES LABORATOIRES SERVIER (FR) 2006-10-12 US disclosed
WO-2006106241-A1 PIPERAZINE DERIVATIVES AND USE THEREOF AS SEROTONIN REUPTAKE INHIBITORS OR AS NEUROKININ ANTAGONISTS LES LABORATOIRES SERVIER (FR) 2006-10-12 WO disclosed
EP-1710240-A1 Piperazine derivatives and their use as serotonin reuptake inhibitors or as neurokinin antagonists Les Laboratoires Servier (FR) 2006-10-11 EP 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 (3 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-20090075982-A1 Piperazine compounds HTR7, HTR5A, NPY5R NPSR1 25/4885CACNA1G 2005/4885OPRL1 24/4885
US-20090076030-A1 Piperazine compounds HTR7, HTR5A, NPY5R NPSR1 25/4885CACNA1G 2005/4885OPRL1 24/4885
US-20060229318-A1 Piperazine compounds HTR7, HTR5A, NPY5R NPSR1 25/4885CACNA1G 2005/4885OPRL1 24/4885

“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.