SCHEMBL4128516

SCHEMBL4128516

O=C1CCCc2ccccc2C1N1CCN(C(=O)O)CC1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
CAMK2A Q9UQM7 1/20 0.44
NPSR1 Q6W5P4 2/20 0.43
OPRM1 P35372 1/20 0.41
OPRD1 P41143 1/20 0.41
OPRK1 P41145 1/20 0.41
OPRL1 P41146 1/20 0.41
CACNA1G O43497 1/20 0.40
CRBN Q96SW2 2/20 0.39
HDAC8 Q9BY41 1/20 0.39
HTT P42858 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
HTR2C P28335 1/20 0.38

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
SCHEMBL4132233 0.76 NPSR1 (0.40) NPSR1OPRL1CACNA1G
SCHEMBL4127471 0.75 SLC18A3 (0.45) CYP1A2CYP2D6CYP2C9CYP2C19CAMK2A
SCHEMBL4127463 0.75 SLC18A3 (0.45) CYP1A2CYP2D6CYP2C9CYP2C19CAMK2A
SCHEMBL4127466 0.75 SLC18A3 (0.45) CYP1A2CYP2D6CYP2C9CYP2C19CAMK2A
SCHEMBL10559202 0.73 NPSR1 (0.41) NPSR1CACNA1GL3MBTL1
SCHEMBL917328 0.73 NPSR1 (0.46) NPSR1CACNA1G
SCHEMBL4128332 0.71 SLC18A3 (0.41) CYP1A2CYP2D6CYP2C9CYP2C19CAMK2A
SCHEMBL4128329 0.71 SLC18A3 (0.41) CYP1A2CYP2D6CYP2C9CYP2C19CAMK2A
SCHEMBL4128336 0.71 SLC18A3 (0.41) CYP1A2CYP2D6CYP2C9CYP2C19CAMK2A
SCHEMBL17540703 0.70 CHRNA7 (0.53) CYP1A2CYP2C9CYP2C19NPSR1OPRK1

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 CYP1A2 172/4885CYP2D6 420/4885CYP2C9 674/4885
US-20090076030-A1 Piperazine compounds HTR7, HTR5A, NPY5R CYP1A2 172/4885CYP2D6 420/4885CYP2C9 674/4885
US-20060229318-A1 Piperazine compounds HTR7, HTR5A, NPY5R CYP1A2 172/4885CYP2D6 420/4885CYP2C9 674/4885

“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.