SCHEMBL4928372

SCHEMBL4928372

N#CCCCN1CCN(c2cccc(C(F)(F)F)c2)CC1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.65
DRD3 P35462 3/20 0.61
DRD2 P14416 2/20 0.61
DRD5 P21918 2/20 0.61
HTR7 P34969 5/20 0.61
ALDH1A1 P00352 1/20 0.58
CYP1A2 P05177 1/20 0.58
CYP3A4 P08684 1/20 0.58
CYP2D6 P10635 1/20 0.58
MAPT P10636 1/20 0.58
TSHR P16473 1/20 0.58
NFKB1 P19838 1/20 0.58
MAPK1 P28482 1/20 0.58
CYP2C19 P33261 1/20 0.58
THPO P40225 1/20 0.58
MTOR P42345 1/20 0.58
BLM P54132 1/20 0.58
PMP22 Q01453 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
TDP1 Q9NUW8 1/20 0.58

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
SCHEMBL11465528 0.88 SIGMAR1 (0.76) SIGMAR1DRD3DRD2HTR7ALDH1A1
SCHEMBL11186735 0.84 SIGMAR1 (0.60) SIGMAR1HTR7ALDH1A1CYP1A2CYP3A4
SCHEMBL11405931 0.83 SIGMAR1 (0.69) SIGMAR1DRD3DRD2DRD5HTR7
SCHEMBL9559659 0.83 SIGMAR1 (0.69) SIGMAR1DRD3DRD2DRD5HTR7
SCHEMBL2090542 0.83 SIGMAR1 (0.69) SIGMAR1DRD3DRD2DRD5HTR7
SCHEMBL7044652 0.83 SIGMAR1 (0.69) SIGMAR1DRD3DRD2HTR7ALDH1A1
SCHEMBL1253143 0.83 SIGMAR1 (0.69) SIGMAR1DRD3DRD2DRD5HTR7
SCHEMBL13875120 0.83 SIGMAR1 (0.69) SIGMAR1DRD3DRD2HTR7ALDH1A1
SCHEMBL14440415 0.82 SIGMAR1 (0.65) SIGMAR1DRD3DRD2HTR7ALDH1A1
SCHEMBL7486480 0.82 SIGMAR1 (0.71) SIGMAR1DRD3DRD2DRD5HTR7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7432269-B2 Arylpiperaszine derivatives, to the process for the production thereof and to the use thereof as therapeutic agents BIOPROJET (FR) 2008-10-07 US disclosed
US-20080167320-A1 NOVEL ARYLPIPERAZINE DERIVATIVES CAPET MARC 2008-07-10 US disclosed
US-20080167320-A1 NOVEL ARYLPIPERAZINE DERIVATIVES CAPET MARC 2008-07-10 US disclosed
EP-1659112-B1 Arylpiperazuine derivatives as selective ligand for the dopamine D3 receptor BIOPROJET SOC CIV (FR) 2007-06-20 EP disclosed
EP-1659112-B1 Arylpiperazuine derivatives as selective ligand for the dopamine D3 receptor BIOPROJET SOC CIV (FR) 2007-06-20 EP disclosed
EP-1659112-A1 Arylpiperazuine derivatives as selective ligand for the dopamine D3 receptor BIOPROJET (FR) 2006-05-24 EP disclosed
US-20060089364-A1 Arylpiperaszine derivatives, to the process for the production thereof and to the use thereof as therapeutic agents BIOPROJET (FR) 2006-04-27 US disclosed
WO-2003028728-A1 4-(4-SUBSTITUTED PIPERAZINYL-1YL)-BUTYLCARBOXAMIDES AS D3 DOPAMINE SUBTYPE SELECTIVE LIGANDS Richter Gedeon Vegyészeti Gyár Rt. (HU) 2003-04-10 WO 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-20080167320-A1 NOVEL ARYLPIPERAZINE DERIVATIVES DRD2, HTR2C, DRD3 SIGMAR1 134/4885DRD3 3/4885DRD2 1/4885
US-20060089364-A1 Arylpiperaszine derivatives, to the process for the production thereof and to the use thereof as therapeutic agents CYP4Z1, CYP3A5, CYP1A2 SIGMAR1 911/4885DRD3 1872/4885DRD2 1280/4885

“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.