SCHEMBL4137183

SCHEMBL4137183

Brc1cc(Br)cc(COC2Cc3ccccc3C2N2CCNCC2)c1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 8/20 0.42
SLC9A3 P48764 1/20 0.35
TAAR1 Q96RJ0 1/20 0.34
REN P00797 1/20 0.33
SIGMAR1 Q99720 1/20 0.32
SLC6A2 P23975 2/20 0.32
SLC6A4 P31645 2/20 0.32
HTR1A P08908 1/20 0.32
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31
HTR7 P34969 1/20 0.31
HTR2B P41595 1/20 0.31
HTR3A P46098 1/20 0.31
SLC6A3 Q01959 1/20 0.31
HTR4 Q13639 1/20 0.31

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
SCHEMBL5198694 1.00 TACR1 (0.42) TACR1SLC9A3TAAR1RENSIGMAR1
SCHEMBL4137188 1.00 TACR1 (0.42) TACR1SLC9A3TAAR1RENSIGMAR1
SCHEMBL4126854 1.00 TACR1 (0.42) TACR1SLC9A3TAAR1RENSIGMAR1
Hydrochloric Acid SCHEMBL4120835 0.99 TACR1 (0.42) TACR1SLC9A3TAAR1RENSIGMAR1
Hydrochloric Acid SCHEMBL4120832 0.99 TACR1 (0.42) TACR1SLC9A3TAAR1RENSIGMAR1
Hydrochloric Acid SCHEMBL4127165 0.99 TACR1 (0.42) TACR1SLC9A3TAAR1RENSIGMAR1
Hydrochloric Acid SCHEMBL4133667 0.99 TACR1 (0.42) TACR1SLC9A3TAAR1RENSIGMAR1
SCHEMBL4132921 0.89 TACR1 (0.41) TACR1TAAR1RENSLC6A2SLC6A4
SCHEMBL4132923 0.89 TACR1 (0.41) TACR1TAAR1RENSLC6A2SLC6A4
SCHEMBL5227414 0.89 TACR1 (0.42) TACR1SLC9A3TAAR1SIGMAR1

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7465733-B2 Piperazine compounds LES LABORATOIRES SERVIER (FR) 2008-12-16 US claimed
EP-1710240-B1 Piperazine derivatives and their use as serotonin reuptake inhibitors or as neurokinin antagonists SERVIER LAB (FR) 2007-12-05 EP claimed
US-20060229318-A1 Piperazine compounds LES LABORATOIRES SERVIER (FR) 2006-10-12 US claimed
EP-1710240-A1 Piperazine derivatives and their use as serotonin reuptake inhibitors or as neurokinin antagonists Les Laboratoires Servier (FR) 2006-10-11 EP claimed
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 TACR1 45/4885SLC9A3 2096/4885TAAR1 77/4885
US-20090076030-A1 Piperazine compounds HTR7, HTR5A, NPY5R TACR1 45/4885SLC9A3 2096/4885TAAR1 77/4885
US-20060229318-A1 Piperazine compounds HTR7, HTR5A, NPY5R TACR1 45/4885SLC9A3 2096/4885TAAR1 77/4885

“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.