SCHEMBL4122362

SCHEMBL4122362

O=C(O)N1CCN([C@H]2c3ccccc3OCC[C@@H]2O)CC1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 3/20 0.40
SLC18A3 Q16572 1/20 0.39
NPSR1 Q6W5P4 2/20 0.37
LMNA P02545 1/20 0.37
TP53 P04637 1/20 0.37
TSHR P16473 1/20 0.37
HTR2B P41595 2/20 0.36
SSTR4 P31391 1/20 0.36
ACHE P22303 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HTR1A P08908 3/20 0.34
CNR1 P21554 1/20 0.34
CNR2 P34972 1/20 0.34
DPP4 P27487 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
SCHEMBL4120666 1.00 OPRL1 (0.40) OPRL1SLC18A3NPSR1LMNATP53
SCHEMBL4120669 1.00 OPRL1 (0.40) OPRL1SLC18A3NPSR1LMNATP53
SCHEMBL4122366 1.00 OPRL1 (0.40) OPRL1SLC18A3NPSR1LMNATP53
SCHEMBL4120673 1.00 OPRL1 (0.40) OPRL1SLC18A3NPSR1LMNATP53
SCHEMBL4137839 0.87 HTR2B (0.43) SLC18A3NPSR1LMNATP53TSHR
SCHEMBL4137837 0.87 HTR2B (0.43) SLC18A3NPSR1LMNATP53TSHR
SCHEMBL4137845 0.87 HTR2B (0.43) SLC18A3NPSR1LMNATP53TSHR
SCHEMBL4119746 0.83 ADRA2A (0.37) LMNATP53TSHRALDH1A1
SCHEMBL4119739 0.83 ADRA2A (0.37) LMNATP53TSHRALDH1A1
SCHEMBL4119743 0.83 ADRA2A (0.37) LMNATP53TSHRALDH1A1

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 OPRL1 24/4885SLC18A3 508/4885NPSR1 25/4885
US-20090076030-A1 Piperazine compounds HTR7, HTR5A, NPY5R OPRL1 24/4885SLC18A3 508/4885NPSR1 25/4885
US-20060229318-A1 Piperazine compounds HTR7, HTR5A, NPY5R OPRL1 24/4885SLC18A3 508/4885NPSR1 25/4885

“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.