SCHEMBL4128332

SCHEMBL4128332

O=C(O)N1CCN([C@@H]2c3ccccc3CC[C@H]2O)CC1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC18A3 Q16572 1/20 0.41
KCNH2 Q12809 2/20 0.40
HRH3 Q9Y5N1 2/20 0.40
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
MTNR1B P49286 3/20 0.38
TSHR P16473 1/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
CHRNA7 P36544 1/20 0.37
MTNR1A P48039 2/20 0.37
PIN1 Q13526 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
SCHEMBL4128329 1.00 SLC18A3 (0.41) SLC18A3KCNH2HRH3CYP1A2CYP2D6
SCHEMBL4128336 1.00 SLC18A3 (0.41) SLC18A3KCNH2HRH3CYP1A2CYP2D6
SCHEMBL4129064 0.95 SLC18A3 (0.40) SLC18A3KCNH2HRH3CYP1A2CYP2D6
SCHEMBL4129066 0.95 SLC18A3 (0.40) SLC18A3KCNH2HRH3CYP1A2CYP2D6
SCHEMBL4127471 0.92 SLC18A3 (0.45) SLC18A3KCNH2HRH3CYP1A2CYP2D6
SCHEMBL4127466 0.92 SLC18A3 (0.45) SLC18A3KCNH2HRH3CYP1A2CYP2D6
SCHEMBL4127463 0.92 SLC18A3 (0.45) SLC18A3KCNH2HRH3CYP1A2CYP2D6
SCHEMBL4128316 0.86 SLC18A3 (0.43) SLC18A3KCNH2HRH3NPSR1
SCHEMBL4128319 0.86 SLC18A3 (0.43) SLC18A3KCNH2HRH3NPSR1
SCHEMBL4127549 0.83 FAAH (0.44) SLC18A3CAMK2AMTNR1BMTNR1A

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 508/4885KCNH2 157/4885HRH3 56/4885
US-20090076030-A1 Piperazine compounds HTR7, HTR5A, NPY5R SLC18A3 508/4885KCNH2 157/4885HRH3 56/4885
US-20060229318-A1 Piperazine compounds HTR7, HTR5A, NPY5R SLC18A3 508/4885KCNH2 157/4885HRH3 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.