SCHEMBL3078728

SCHEMBL3078728

Clc1cccc(N2CCN(CCC3CO3)CC2)c1Cl

nearest known ligand 0.63

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 15/20 0.63
DRD3 P35462 14/20 0.63
DRD4 P21917 3/20 0.56
DRD5 P21918 1/20 0.53
SLC6A2 P23975 1/20 0.53
SLC6A4 P31645 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
SCHEMBL19358663 0.84 DRD2 (0.67) DRD2DRD3DRD4
SCHEMBL22303331 0.81 DRD2 (0.79) DRD2DRD3DRD4DRD5SLC6A4
SCHEMBL22302843 0.80 DRD2 (0.77) DRD2DRD3DRD4DRD5SLC6A4
SCHEMBL30579536 0.80 DRD2 (0.77) DRD2DRD3DRD4DRD5SLC6A4
SCHEMBL22302295 0.80 DRD2 (0.69) DRD2DRD3DRD4DRD5SLC6A2
SCHEMBL18073600 0.80 DRD2 (0.77) DRD2DRD3DRD4DRD5SLC6A4
SCHEMBL14494936 0.79 DRD2 (0.74) DRD2DRD3DRD4DRD5SLC6A2
SCHEMBL1898756 0.79 ALDH1A1 (0.60) DRD2DRD3SLC6A4
SCHEMBL23330962 0.78 DRD2 (0.79) DRD2DRD3DRD4DRD5SLC6A2
SCHEMBL22302317 0.78 DRD2 (0.79) DRD2DRD3DRD4DRD5SLC6A2

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 1/4885DRD4 4/4885
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 1/4885DRD4 6/4885

“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.