SCHEMBL4140650

SCHEMBL4140650

O=C(O)N1CCN(C2c3cc(Br)ccc3OCC2O)CC1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HCRTR2 O43614 1/20 0.39
DRD2 P14416 1/20 0.37
DRD3 P35462 1/20 0.37
CYP19A1 P11511 1/20 0.34
FAAH O00519 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
ACHE P22303 1/20 0.33
PABPC1 P11940 1/20 0.33
FFAR1 O14842 1/20 0.32
PPARG P37231 1/20 0.32
PPARD Q03181 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
SCHEMBL4140654 1.00 HCRTR2 (0.39) HCRTR2DRD2DRD3CYP19A1FAAH
SCHEMBL4140659 1.00 HCRTR2 (0.39) HCRTR2DRD2DRD3CYP19A1FAAH
SCHEMBL4119739 0.88 ADRA2A (0.37) HCRTR2FAAH
SCHEMBL4119743 0.88 ADRA2A (0.37) HCRTR2FAAH
SCHEMBL4119746 0.88 ADRA2A (0.37) HCRTR2FAAH
SCHEMBL4120052 0.82 ABCB1 (0.45) HCRTR2DRD2DRD3
SCHEMBL4120064 0.82 ABCB1 (0.45) HCRTR2DRD2DRD3
SCHEMBL4120056 0.82 ABCB1 (0.45) HCRTR2DRD2DRD3
SCHEMBL4137837 0.82 HTR2B (0.43) KMT2AACHE
SCHEMBL4137845 0.82 HTR2B (0.43) KMT2AACHE

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 HCRTR2 15/4885DRD2 81/4885DRD3 85/4885
US-20090076030-A1 Piperazine compounds HTR7, HTR5A, NPY5R HCRTR2 15/4885DRD2 81/4885DRD3 85/4885
US-20060229318-A1 Piperazine compounds HTR7, HTR5A, NPY5R HCRTR2 15/4885DRD2 81/4885DRD3 85/4885

“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.