SCHEMBL4685457

SCHEMBL4685457

O=C(O)CCCCCN1CCN(c2cccc(OC(F)(F)F)c2)CC1

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 6/20 0.55
NOTUM Q6P988 1/20 0.51
HTR1A P08908 3/20 0.50
HTR7 P34969 1/20 0.50
CHRM4 P08173 3/20 0.49
FFAR4 Q5NUL3 1/20 0.49
DRD4 P21917 1/20 0.48
DRD2 P14416 1/20 0.48
DRD3 P35462 1/20 0.48
SIGMAR1 Q99720 1/20 0.47

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
SCHEMBL4933552 1.00 KCNH2 (0.55) KCNH2NOTUMHTR1AHTR7CHRM4
SCHEMBL4932317 0.86 KCNH2 (0.53) KCNH2HTR1AHTR7DRD4DRD2
SCHEMBL4685267 0.85 HTR1A (0.56) KCNH2HTR1AHTR7DRD2DRD3
SCHEMBL4686276 0.84 HTR1A (0.49) KCNH2HTR1AHTR7CHRM4DRD2
SCHEMBL4687501 0.84 SIGMAR1 (0.67) HTR1AHTR7DRD2DRD3SIGMAR1
SCHEMBL4938916 0.84 SIGMAR1 (0.67) HTR1AHTR7DRD2DRD3SIGMAR1
SCHEMBL17396663 0.83 NOTUM (0.57) NOTUMCHRM4FFAR4
Hydrochloric Acid SCHEMBL4929355 0.83 SIGMAR1 (0.66) HTR1AHTR7DRD2DRD3SIGMAR1
SCHEMBL2113032 0.82 SIGMAR1 (0.69) HTR7DRD2DRD3SIGMAR1
SCHEMBL2092653 0.82 KCNH2 (0.58) KCNH2HTR1AHTR7DRD2DRD3

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
US-20080214542-A1 Arylpiperazine Derivatives and their Use as Selective Dopamine D3 Receptor Ligands BIOPROJET (FR) 2008-09-04 US disclosed
EP-1828125-B1 ARYLPIPERAZINE DERIVATIVES AND THEIR USE AS LIGANGS SELECTIVE OF THE DOPAMINE D3 RECEPTOR BIOPROJET SOC CIV (FR) 2008-04-09 EP 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 KCNH2 963/4885NOTUM 4297/4885HTR1A 88/4885

“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.