SCHEMBL4132352

SCHEMBL4132352

O=C(O)N1CCN(C[C@H]2COc3ccccc3O2)CC1

nearest known ligand 0.76

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 2/20 0.67
SIGMAR1 Q99720 2/20 0.67
ADRA2A P08913 2/20 0.66
ADRA2B P18089 2/20 0.66
ADRA2C P18825 2/20 0.66
ADRA1D P25100 1/20 0.66
ADRA1A P35348 1/20 0.66
ADRA1B P35368 1/20 0.66
SCN1A P35498 1/20 0.66
SCN2A Q99250 1/20 0.66
SCN3A Q9NY46 1/20 0.66
DRD2 P14416 6/20 0.62

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
SCHEMBL18282585 1.00 HTR1A (0.67) HTR1ASIGMAR1ADRA2AADRA2BADRA2C
SCHEMBL11854599 0.87 ADRA2A (0.84) HTR1ASIGMAR1ADRA2AADRA2BADRA2C
SCHEMBL16117808 0.86 ADRA2A (0.61) HTR1ASIGMAR1ADRA2AADRA2BADRA2C
SCHEMBL13150060 0.83 HTR1A (0.63) HTR1ASIGMAR1ADRA2AADRA2BADRA2C
SCHEMBL8131179 0.83 HTR1A (0.65) HTR1ASIGMAR1ADRA2AADRA2BADRA2C
SCHEMBL11214812 0.83 ADRA2A (0.64) HTR1ASIGMAR1ADRA2AADRA2BADRA2C
SCHEMBL20423955 0.82 ADRA2A (0.57) HTR1ASIGMAR1ADRA2AADRA2BADRA2C
SCHEMBL20423956 0.82 ADRA2A (0.57) HTR1ASIGMAR1ADRA2AADRA2BADRA2C
SCHEMBL2454473 0.81 ADRA2A (0.63) HTR1ASIGMAR1ADRA2AADRA2BADRA2C
SCHEMBL14454754 0.81 ADRA2A (0.97) HTR1ASIGMAR1ADRA2AADRA2BADRA2C

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 HTR1A 26/4885SIGMAR1 64/4885ADRA2A 9/4885
US-20090076030-A1 Piperazine compounds HTR7, HTR5A, NPY5R HTR1A 26/4885SIGMAR1 64/4885ADRA2A 9/4885
US-20060229318-A1 Piperazine compounds HTR7, HTR5A, NPY5R HTR1A 26/4885SIGMAR1 64/4885ADRA2A 9/4885

“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.