SCHEMBL4686244

SCHEMBL4686244

N#Cc1c(N2CCN(CCCCCC(=O)n3cc4ccccc4c3)CC2)cccc1C(F)(F)F

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 17/20 0.47
DRD2 P14416 11/20 0.47
HTR7 P34969 9/20 0.47
HTR6 P50406 7/20 0.47
HTR2A P28223 7/20 0.47
FAAH O00519 3/20 0.45
DRD3 P35462 2/20 0.45
HTR1D P28221 5/20 0.43
HTR2C P28335 5/20 0.43
HTR2B P41595 5/20 0.43
HTR5A P47898 5/20 0.43
HTR1B P28222 1/20 0.40
KCNH2 Q12809 1/20 0.40

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
SCHEMBL4686245 0.86 HTR1A (0.59) HTR1ADRD2HTR7
SCHEMBL4686300 0.86 DRD2 (0.46) HTR1ADRD2HTR7HTR6HTR2A
SCHEMBL5208574 0.83 DRD2 (0.53) HTR1ADRD2HTR7HTR6HTR2A
SCHEMBL4925377 0.78 DRD2 (0.44) HTR1ADRD2HTR7HTR6HTR2A
SCHEMBL4684336 0.77 DRD3 (0.61) HTR1ADRD2HTR7HTR2ADRD3
SCHEMBL4685461 0.77 DRD2 (0.57) HTR1ADRD2HTR7HTR6HTR2A
SCHEMBL8220195 0.77 HTR1A (0.62) HTR1ADRD2HTR7HTR6HTR2A
SCHEMBL4687018 0.76 DRD2 (0.62) HTR1ADRD2HTR7HTR6HTR2A
SCHEMBL4684354 0.75
SCHEMBL2783112 0.74 DRD2 (0.49) HTR1ADRD2HTR2ADRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1828125-B1 ARYLPIPERAZINE DERIVATIVES AND THEIR USE AS LIGANGS SELECTIVE OF THE DOPAMINE D3 RECEPTOR BIOPROJET SOC CIV (FR) 2008-04-09 EP claimed
US-20080214542-A1 Arylpiperazine Derivatives and their Use as Selective Dopamine D3 Receptor Ligands BIOPROJET (FR) 2008-09-04 US disclosed
EP-1828125-A1 ARYLPIPERAZINE DERIVATIVES AND THEIR USE AS LIGANGS SELECTIVE OF THE DOPAMINE D3 RECEPTOR BIOPROJET (FR) 2007-09-05 EP disclosed
WO-2006058993-A1 ARYLPIPERAZINE DERIVATIVES AND THEIR USE AS LIGANDS SELECTIVE OF THE DOPAMINE D3 RECEPTOR BIOPROJET (FR) 2006-06-08 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 (1 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-20080214542-A1 Arylpiperazine Derivatives and their Use as Selective Dopamine D3 Receptor Ligands SLC6A3, ADRB3, PRLHR HTR1A 88/4885DRD2 8/4885HTR7 39/4885

“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.