SCHEMBL4137845

SCHEMBL4137845

O=C(O)N1CCN([C@@H]2c3ccccc3OC[C@H]2O)CC1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR2B P41595 4/20 0.43
ACHE P22303 1/20 0.39
LTB4R Q15722 1/20 0.39
LTB4R2 Q9NPC1 1/20 0.39
NPSR1 Q6W5P4 2/20 0.39
LMNA P02545 1/20 0.39
TP53 P04637 1/20 0.39
TSHR P16473 1/20 0.39
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
SLC18A3 Q16572 1/20 0.37
KMT2A Q03164 2/20 0.37
NPC1 O15118 1/20 0.37
TRPM8 Q7Z2W7 1/20 0.37
GAA P10253 1/20 0.36

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
SCHEMBL4137839 1.00 HTR2B (0.43) HTR2BACHELTB4RLTB4R2NPSR1
SCHEMBL4137837 1.00 HTR2B (0.43) HTR2BACHELTB4RLTB4R2NPSR1
SCHEMBL4120666 0.87 OPRL1 (0.40) HTR2BACHENPSR1LMNATP53
SCHEMBL4122366 0.87 OPRL1 (0.40) HTR2BACHENPSR1LMNATP53
SCHEMBL4120673 0.87 OPRL1 (0.40) HTR2BACHENPSR1LMNATP53
SCHEMBL4122362 0.87 OPRL1 (0.40) HTR2BACHENPSR1LMNATP53
SCHEMBL4120669 0.87 OPRL1 (0.40) HTR2BACHENPSR1LMNATP53
SCHEMBL4140654 0.82 HCRTR2 (0.39) ACHEKMT2A
SCHEMBL4140650 0.82 HCRTR2 (0.39) ACHEKMT2A
SCHEMBL4140659 0.82 HCRTR2 (0.39) ACHEKMT2A

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 HTR2B 47/4885ACHE 2202/4885LTB4R 506/4885
US-20090076030-A1 Piperazine compounds HTR7, HTR5A, NPY5R HTR2B 47/4885ACHE 2202/4885LTB4R 506/4885
US-20060229318-A1 Piperazine compounds HTR7, HTR5A, NPY5R HTR2B 47/4885ACHE 2202/4885LTB4R 506/4885

“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.