SCHEMBL4127876

SCHEMBL4127876

COc1ccc2c(c1)CCC(O)C2N1CCN(C(=O)O)CC1

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MTNR1B P49286 12/20 0.54
MTNR1A P48039 5/20 0.52
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
PPARD Q03181 2/20 0.43
DRD1 P21728 1/20 0.43
SRD5A1 P18405 2/20 0.42
KMT2A Q03164 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
SCHEMBL4127878 1.00 MTNR1B (0.54) MTNR1BMTNR1AKDM4EALDH1A1LMNA
SCHEMBL4136755 0.92 MTNR1B (0.61) MTNR1BMTNR1A
SCHEMBL4136757 0.92 MTNR1B (0.61) MTNR1BMTNR1A
SCHEMBL9748795 0.85 DRD1 (0.48) MTNR1BMTNR1AKDM4EALDH1A1LMNA
SCHEMBL9748779 0.85 DRD1 (0.48) MTNR1BMTNR1AKDM4EALDH1A1LMNA
SCHEMBL9748787 0.85 DRD1 (0.48) MTNR1BMTNR1AKDM4EALDH1A1LMNA
SCHEMBL4128332 0.79 SLC18A3 (0.41) MTNR1BMTNR1AKDM4EALDH1A1
SCHEMBL4128329 0.79 SLC18A3 (0.41) MTNR1BMTNR1AKDM4EALDH1A1
SCHEMBL4128336 0.79 SLC18A3 (0.41) MTNR1BMTNR1AKDM4EALDH1A1
SCHEMBL4127552 0.76 FAAH (0.44) MTNR1BMTNR1A

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 7 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
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 MTNR1B 187/4885MTNR1A 156/4885KDM4E 1843/4885
US-20090076030-A1 Piperazine compounds HTR7, HTR5A, NPY5R MTNR1B 187/4885MTNR1A 156/4885KDM4E 1843/4885
US-20060229318-A1 Piperazine compounds HTR7, HTR5A, NPY5R MTNR1B 187/4885MTNR1A 156/4885KDM4E 1843/4885

“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.