SCHEMBL3260646

SCHEMBL3260646

CCCCCC(=O)NCCCCN1CCN(c2cccc(Cl)c2Cl)CC1

nearest known ligand 0.80

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 16/20 0.80
DRD3 P35462 15/20 0.80
HTR1A P08908 4/20 0.66
HTR2A P28223 1/20 0.66
DRD4 P21917 8/20 0.63
ADRA1D P25100 3/20 0.63
ADRA1A P35348 3/20 0.63
ADRA1B P35368 3/20 0.63
FAAH O00519 1/20 0.63
CNR1 P21554 1/20 0.63

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
SCHEMBL12441088 0.84 DRD2 (0.91) DRD2DRD3HTR1AHTR2ADRD4
SCHEMBL19580027 0.83 DRD3 (0.79) DRD2DRD3HTR1ADRD4ADRA1D
SCHEMBL22417522 0.83 DRD2 (0.89) DRD2DRD3HTR1AHTR2ADRD4
SCHEMBL12441074 0.80 DRD2 (1.00) DRD2DRD3HTR1AHTR2ADRD4
SCHEMBL19580065 0.80 DRD3 (0.73) DRD2DRD3HTR1AHTR2ADRD4
SCHEMBL12045242 0.79 DRD2 (0.62) DRD2DRD3HTR1AHTR2ADRD4
SCHEMBL16464148 0.78 DRD3 (1.00) DRD2DRD3HTR2ADRD4FAAH
SCHEMBL19596737 0.78 DRD2 (0.71) DRD2DRD3HTR1AHTR2ADRD4
SCHEMBL7057990 0.77 DRD3 (0.78) DRD2DRD3HTR1AHTR2ADRD4
SCHEMBL3408334 0.76 DRD3 (0.77) DRD2DRD3HTR1AHTR2ADRD4

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-20140296249-A1 4-PHENYLPIPERAZINE DERIVATIVES WITH FUNCTIONALIZED LINKERS AS DOPAMINE D3 RECEPTOR SELECTIVE LIGANDS AND METHODS OF USE THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERV (US) 2014-10-02 US disclosed
US-8748608-B2 4-phenylpiperazine derivatives with functionalized linkers as dopamine D3 receptor selective ligands and methods of use THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2014-06-10 US disclosed
US-20100267737-A1 4-PHENYLPIPERAZINE DERIVATIVES WITH FUNCTIONALIZED LINKERS AS DOPAMINE D3 RECEPTOR SELECTIVE LIGANDS AND METHODS OF USE THE GOV. OF THE U.S.A AS REPRESENTED BY THE SECRETARY OF THE DEPT. OF HEALTH AND HUMAN SERVICES 2010-10-21 US disclosed
WO-2008153573-A1 4-PHENYLPIPERAZINE DERIVATIVES WITH FUNCTIONALIZED LINKERS AS DOPAMINE D3 RECEPTOR SELECTIVE LIGANDS AND METHODS OF USE THE GOVERNMENT OF THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2008-12-18 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-20100267737-A1 4-PHENYLPIPERAZINE DERIVATIVES WITH FUNCTIONALIZED LINKERS AS DOPAMINE D3 RECEPTOR SELECTIVE LIGANDS AND METHODS OF USE DRD3, DRD2, HTR3C DRD2 2/4885DRD3 1/4885HTR1A 192/4885
US-20140296249-A1 4-PHENYLPIPERAZINE DERIVATIVES WITH FUNCTIONALIZED LINKERS AS DOPAMINE D3 RECEPTOR SELECTIVE LIGANDS AND METHODS OF USE DRD3, DRD2, SLC6A3 DRD2 2/4885DRD3 1/4885HTR1A 194/4885

“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.