SCHEMBL4119746

SCHEMBL4119746

O=C(O)N1CCN([C@@H]2c3cc(Br)ccc3OCC[C@H]2O)CC1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 1/20 0.37
ALDH1A1 P00352 2/20 0.35
FAAH O00519 1/20 0.35
STING1 Q86WV6 3/20 0.35
HCRTR2 O43614 1/20 0.34
KDM4C Q9H3R0 1/20 0.33
GPR183 P32249 1/20 0.32
TP53 P04637 1/20 0.32
HPGD P15428 1/20 0.32
TSHR P16473 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
HTT P42858 1/20 0.32
BLM P54132 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
SCHEMBL4119743 1.00 ADRA2A (0.37) ADRA2AALDH1A1FAAHSTING1HCRTR2
SCHEMBL4119739 1.00 ADRA2A (0.37) ADRA2AALDH1A1FAAHSTING1HCRTR2
SCHEMBL4140650 0.88 HCRTR2 (0.39) FAAHHCRTR2
SCHEMBL4140654 0.88 HCRTR2 (0.39) FAAHHCRTR2
SCHEMBL4140659 0.88 HCRTR2 (0.39) FAAHHCRTR2
SCHEMBL4132009 0.83 ABCB1 (0.43) HCRTR2LMNA
SCHEMBL4132005 0.83 ABCB1 (0.43) HCRTR2LMNA
SCHEMBL4132001 0.83 ABCB1 (0.43) HCRTR2LMNA
SCHEMBL4122366 0.83 OPRL1 (0.40) ALDH1A1TP53TSHRLMNA
SCHEMBL4120669 0.83 OPRL1 (0.40) ALDH1A1TP53TSHRLMNA

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 ADRA2A 9/4885ALDH1A1 1565/4885FAAH 1992/4885
US-20090076030-A1 Piperazine compounds HTR7, HTR5A, NPY5R ADRA2A 9/4885ALDH1A1 1565/4885FAAH 1992/4885
US-20060229318-A1 Piperazine compounds HTR7, HTR5A, NPY5R ADRA2A 9/4885ALDH1A1 1565/4885FAAH 1992/4885

“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.