SCHEMBL4139837

SCHEMBL4139837

Brc1cc(Br)cc(CO[C@@H]2CCc3ccccc3[C@H]2N2CCCNCC2)c1

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 6/20 0.39
TAAR1 Q96RJ0 1/20 0.36
ATM Q13315 1/20 0.34
HTR2C P28335 2/20 0.34
HTR2B P41595 2/20 0.34
CHRNA7 P36544 1/20 0.33
REN P00797 1/20 0.32
PRKG1 Q13976 2/20 0.32
ROCK1 Q13464 1/20 0.32

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
SCHEMBL4139833 1.00 TACR1 (0.39) TACR1TAAR1ATMHTR2CHTR2B
Hydrochloric Acid SCHEMBL4132585 0.99 TACR1 (0.38) TACR1TAAR1ATMHTR2CHTR2B
Hydrochloric Acid SCHEMBL4132586 0.99 TACR1 (0.38) TACR1TAAR1ATMHTR2CHTR2B
SCHEMBL4132923 0.96 TACR1 (0.41) TACR1TAAR1ATMHTR2CHTR2B
SCHEMBL4132921 0.96 TACR1 (0.41) TACR1TAAR1ATMHTR2CHTR2B
Hydrochloric Acid SCHEMBL4132232 0.95 TACR1 (0.40) TACR1TAAR1ATMHTR2CHTR2B
Hydrochloric Acid SCHEMBL4132231 0.95 TACR1 (0.40) TACR1TAAR1ATMHTR2CHTR2B
SCHEMBL5197246 0.92 TACR1 (0.40) TACR1TAAR1RENPRKG1
SCHEMBL4133373 0.92 TACR1 (0.40) TACR1TAAR1RENPRKG1
SCHEMBL4133370 0.92 TACR1 (0.40) TACR1TAAR1RENPRKG1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7612061-B2 Piperazine compounds LES LABORATOIRES SERVIER (FR) 2009-11-03 US claimed
US-20090076030-A1 Piperazine compounds LES LABORATOIRES SERVIER (FR) 2009-03-19 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 45/4885TAAR1 77/4885ATM 3151/4885
US-20090076030-A1 Piperazine compounds HTR7, HTR5A, NPY5R TACR1 45/4885TAAR1 77/4885ATM 3151/4885
US-20060229318-A1 Piperazine compounds HTR7, HTR5A, NPY5R TACR1 45/4885TAAR1 77/4885ATM 3151/4885

“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.