SCHEMBL8220195

SCHEMBL8220195

N#Cc1c(N2CCN(CCCCN3C(=O)c4ccccc4C3=O)CC2)cccc1C(F)(F)F

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 10/20 0.62
DRD2 P14416 7/20 0.62
HTR7 P34969 3/20 0.62
HTR2A P28223 3/20 0.62
HTR6 P50406 2/20 0.62
DRD3 P35462 4/20 0.60
DRD4 P21917 2/20 0.57
ADRA1D P25100 2/20 0.55
ADRA1A P35348 2/20 0.55
ADRA1B P35368 2/20 0.55
ALDH1A1 P00352 2/20 0.54
MEN1 O00255 1/20 0.54
CYP3A4 P08684 1/20 0.54
CYP2D6 P10635 1/20 0.54
ALOX12 P18054 1/20 0.54
KMT2A Q03164 1/20 0.54
HIF1A Q16665 1/20 0.54
HSD17B10 Q99714 1/20 0.54
KDM4E B2RXH2 1/20 0.53
GLA P06280 1/20 0.53

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
SCHEMBL16406365 0.87 HTR1A (0.74) HTR1ADRD2HTR7HTR2AHTR6
SCHEMBL16406392 0.84 HTR1A (0.71) HTR1ADRD2HTR7HTR2AHTR6
SCHEMBL4933080 0.83 ADRA1D (0.48) HTR1ADRD2HTR7HTR2AHTR6
SCHEMBL4925377 0.82 DRD2 (0.44) HTR1ADRD2HTR7HTR2AHTR6
SCHEMBL2783112 0.79 DRD2 (0.49) HTR1ADRD2HTR2ADRD3DRD4
SCHEMBL4686245 0.77 HTR1A (0.59) HTR1ADRD2HTR7
SCHEMBL4686244 0.77 HTR1A (0.47) HTR1ADRD2HTR7HTR2AHTR6
SCHEMBL2782425 0.76 DRD2 (0.42) DRD2HTR2ADRD4ALDH1A1HSD17B10
SCHEMBL21802088 0.76 DRD2 (0.83) HTR1ADRD2HTR7HTR2AHTR6
Hydrochloric Acid SCHEMBL9365518 0.76 HTR1A (0.60) HTR1ADRD2HTR7HTR2AHTR6

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-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
EP-1659112-B1 Arylpiperazuine derivatives as selective ligand for the dopamine D3 receptor BIOPROJET SOC CIV (FR) 2007-06-20 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
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 HTR1A 20/4885DRD2 1/4885HTR7 27/4885
US-20060089364-A1 Arylpiperaszine derivatives, to the process for the production thereof and to the use thereof as therapeutic agents CYP4Z1, CYP3A5, CYP1A2 HTR1A 464/4885DRD2 1280/4885HTR7 236/4885

“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.