SCHEMBL4127552

SCHEMBL4127552

O=C(O)N1CCN([C@@H]2c3cc(Br)ccc3CC[C@H]2O)CC1

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.44
MTNR1B P49286 10/20 0.39
MTNR1A P48039 5/20 0.37
CAMK2A Q9UQM7 1/20 0.36
TP53 P04637 1/20 0.34
PTGDR Q13258 1/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.34
SLC18A3 Q16572 1/20 0.34

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
SCHEMBL4127549 1.00 FAAH (0.44) FAAHMTNR1BMTNR1ACAMK2ATP53
SCHEMBL4128332 0.83 SLC18A3 (0.41) MTNR1BMTNR1ACAMK2ASLC18A3
SCHEMBL4128329 0.83 SLC18A3 (0.41) MTNR1BMTNR1ACAMK2ASLC18A3
SCHEMBL4128336 0.83 SLC18A3 (0.41) MTNR1BMTNR1ACAMK2ASLC18A3
SCHEMBL4119994 0.81 RORC (0.41) MTNR1BMTNR1APTGDR2
SCHEMBL4119999 0.81 RORC (0.41) MTNR1BMTNR1APTGDR2
SCHEMBL4136757 0.81 MTNR1B (0.61) MTNR1BMTNR1A
SCHEMBL4136755 0.81 MTNR1B (0.61) MTNR1BMTNR1A
SCHEMBL4119743 0.81 ADRA2A (0.37) FAAHTP53
SCHEMBL4119739 0.81 ADRA2A (0.37) FAAHTP53

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 FAAH 1992/4885MTNR1B 187/4885MTNR1A 156/4885
US-20090076030-A1 Piperazine compounds HTR7, HTR5A, NPY5R FAAH 1992/4885MTNR1B 187/4885MTNR1A 156/4885
US-20060229318-A1 Piperazine compounds HTR7, HTR5A, NPY5R FAAH 1992/4885MTNR1B 187/4885MTNR1A 156/4885

“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.