SCHEMBL4925322

SCHEMBL4925322

[O-][n+]1ccc(-c2cccc(F)c2)cc1NCCCCN1CCN(c2cccc(C(F)(F)F)c2)CC1

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 11/20 0.59
DRD3 P35462 11/20 0.59
ADRA1A P35348 8/20 0.59
HRH4 Q9H3N8 1/20 0.54
SIGMAR1 Q99720 1/20 0.50
HTR7 P34969 6/20 0.48
HTR1A P08908 2/20 0.46
HTR2A P28223 2/20 0.46
HTR2C P28335 2/20 0.46
HTR6 P50406 1/20 0.46

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
SCHEMBL4931193 0.92 DRD2 (0.67) DRD2DRD3ADRA1AHRH4SIGMAR1
SCHEMBL4930975 0.85 DRD2 (0.59) DRD2DRD3ADRA1AHRH4SIGMAR1
SCHEMBL4926079 0.82 DRD2 (0.86) DRD2DRD3ADRA1AHRH4SIGMAR1
SCHEMBL4933767 0.77 SIGMAR1 (0.53) DRD2DRD3ADRA1ASIGMAR1HTR7
SCHEMBL4928548 0.75 DRD2 (0.88) DRD2DRD3ADRA1AHRH4SIGMAR1
SCHEMBL4924188 0.75 DRD2 (0.86) DRD2DRD3ADRA1AHRH4SIGMAR1
SCHEMBL4934368 0.74 DRD2 (1.00) DRD2DRD3ADRA1AHRH4SIGMAR1
SCHEMBL4928934 0.73 DRD2 (1.00) DRD2DRD3ADRA1AHRH4SIGMAR1
SCHEMBL5181059 0.73 DRD2 (0.98) DRD2DRD3ADRA1AHRH4SIGMAR1
Hydrochloric Acid SCHEMBL4932537 0.73 DRD2 (0.98) DRD2DRD3ADRA1AHRH4SIGMAR1

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 6 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-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
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
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

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 DRD2 1/4885DRD3 3/4885ADRA1A 93/4885
US-20060089364-A1 Arylpiperaszine derivatives, to the process for the production thereof and to the use thereof as therapeutic agents CYP4Z1, CYP3A5, CYP1A2 DRD2 1280/4885DRD3 1872/4885ADRA1A 84/4885

“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.