SCHEMBL4258462

SCHEMBL4258462

Brc1ccc2c(c1)C1OC1CO2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 4/20 0.45
DRD3 P35462 3/20 0.45
CYP19A1 P11511 1/20 0.41
HCRTR2 O43614 1/20 0.39
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
HTT P42858 1/20 0.38
BLM P54132 1/20 0.38
ADRA2A P08913 2/20 0.38
HTR2A P28223 4/20 0.37
HTR2C P28335 4/20 0.37
ADRA2C P18825 1/20 0.37
DRD1 P21728 1/20 0.37
HTR7 P34969 1/20 0.37
HRH1 P35367 1/20 0.37
AHR P35869 3/20 0.37
CA2 P00918 1/20 0.35
FFAR1 O14842 1/20 0.33
PPARG P37231 1/20 0.33
PPARD Q03181 1/20 0.33

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
SCHEMBL2114089 0.83 ADRA2A (0.48) DRD2DRD3CYP19A1LMNAMAPT
SCHEMBL4119078 0.75 DRD2 (0.42) DRD2DRD3CYP19A1
SCHEMBL9581223 0.75 HCRTR2 (0.43) DRD2DRD3HCRTR2LMNABLM
SCHEMBL9358371 0.75 DRD2 (0.48) DRD2DRD3HCRTR2
SCHEMBL31603066 0.74 DRD2 (0.43) DRD2DRD3CYP19A1HCRTR2LMNA
SCHEMBL31603070 0.74 DRD2 (0.43) DRD2DRD3CYP19A1HCRTR2LMNA
SCHEMBL31136565 0.74 DRD2 (0.43) DRD2DRD3CYP19A1HCRTR2LMNA
SCHEMBL30015979 0.74 DRD2 (0.43) DRD2DRD3CYP19A1HCRTR2LMNA
SCHEMBL22439161 0.74 DRD2 (0.43) DRD2DRD3CYP19A1HCRTR2LMNA
SCHEMBL29340304 0.74 DRD2 (0.43) DRD2DRD3CYP19A1HCRTR2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (2 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 DRD2 81/4885DRD3 85/4885CYP19A1 518/4885
US-20060229318-A1 Piperazine compounds HTR7, HTR5A, NPY5R DRD2 81/4885DRD3 85/4885CYP19A1 518/4885

“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.