SCHEMBL4129064

SCHEMBL4129064

O=C(O)N1CCCN(C2c3ccccc3CCC2O)CC1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC18A3 Q16572 2/20 0.40
CHRNA7 P36544 1/20 0.40
HRH3 Q9Y5N1 6/20 0.39
KCNH2 Q12809 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
CAMK2A Q9UQM7 1/20 0.39
NPC1 O15118 1/20 0.37
ALDH1A1 P00352 1/20 0.37
PKM P14618 1/20 0.37
TSHR P16473 1/20 0.37
HTR2C P28335 1/20 0.36
HDAC3 O15379 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
NCOR2 Q9Y618 1/20 0.36
NR1H2 P55055 1/20 0.36
NR1H3 Q13133 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
SCHEMBL4129066 1.00 SLC18A3 (0.40) SLC18A3CHRNA7HRH3KCNH2CYP1A2
SCHEMBL4128332 0.95 SLC18A3 (0.41) SLC18A3CHRNA7HRH3KCNH2CYP1A2
SCHEMBL4128336 0.95 SLC18A3 (0.41) SLC18A3CHRNA7HRH3KCNH2CYP1A2
SCHEMBL4128329 0.95 SLC18A3 (0.41) SLC18A3CHRNA7HRH3KCNH2CYP1A2
SCHEMBL4127471 0.90 SLC18A3 (0.45) SLC18A3HRH3KCNH2CYP1A2CYP2D6
SCHEMBL4127463 0.90 SLC18A3 (0.45) SLC18A3HRH3KCNH2CYP1A2CYP2D6
SCHEMBL4127466 0.90 SLC18A3 (0.45) SLC18A3HRH3KCNH2CYP1A2CYP2D6
SCHEMBL9748301 0.84 CHRNA7 (0.50) SLC18A3CHRNA7
SCHEMBL9748308 0.84 CHRNA7 (0.50) SLC18A3CHRNA7
SCHEMBL9498356 0.84 CHRNA7 (0.50) SLC18A3CHRNA7

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 SLC18A3 508/4885CHRNA7 11/4885HRH3 56/4885
US-20090076030-A1 Piperazine compounds HTR7, HTR5A, NPY5R SLC18A3 508/4885CHRNA7 11/4885HRH3 56/4885
US-20060229318-A1 Piperazine compounds HTR7, HTR5A, NPY5R SLC18A3 508/4885CHRNA7 11/4885HRH3 56/4885

“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.