SCHEMBL644477

SCHEMBL644477

NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1

nearest known ligand 0.59

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 20/20 0.59
DRD3 P35462 20/20 0.59
DRD4 P21917 1/20 0.57

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
SCHEMBL644476 1.00 DRD2 (0.59) DRD2DRD3DRD4
SCHEMBL16406394 0.86 DRD2 (0.46) DRD2DRD3
SCHEMBL19358733 0.84 DRD2 (0.61) DRD2DRD3DRD4
SCHEMBL14494898 0.82 DRD2 (0.67) DRD2DRD3DRD4
SCHEMBL6820070 0.81 DRD3 (0.57) DRD2DRD3DRD4
SCHEMBL2782099 0.81 DRD2 (0.61) DRD2DRD3DRD4
SCHEMBL1194044 0.81 DRD2 (0.61) DRD2DRD3DRD4
SCHEMBL646496 0.79 DRD2 (0.69) DRD2DRD3DRD4
SCHEMBL646497 0.79 DRD2 (0.69) DRD2DRD3DRD4
SCHEMBL1896873 0.79 DRD2 (0.72) DRD2DRD3DRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9828352-B2 Phenyl carbamates and their use as inhibitors of the fatty acid amide hydrolase (FAAH) enzyme and modulators of the D3 dopamine receptor (D3DR) FONDAZIONE ISTITUTO ITALIANO DI TECNOLOGIA (IT) 2017-11-28 US disclosed
EP-3022179-B1 PHENYL CARBAMATES AND THEIR USE AS INHIBITORS OF THE FATTY ACID AMIDE HYDROLASE (FAAH) ENZYME AND MODULATORS OF THE D3 DOPAMINE RECEPTOR (D3DR) FOND ST ITALIANO TECNOLOGIA (IT) 2017-11-15 EP disclosed
US-20160194296-A1 PHENYL CARBAMATES AND THEIR USE AS INHIBITORS OF THE FATTY ACID AMIDE HYDROLASE (FAAH) ENZYME AND MODULATORS OF THE D3 DOPAMINE RECEPTOR (D3DR) THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2016-07-07 US disclosed
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-8119642-B2 Structurally rigid dopamine D3 receptor selective ligands and process for making them THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2012-02-21 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
US-20100068138-A1 STRUCTURALLY RIGID DOPAMINE D3 RECEPTOR SELECTIVE LIGANDS AND PROCESS FOR MAKING THEM NEWMAN AMY 2010-03-18 US disclosed
US-7605259-B2 N-(4-(4-(2,3 -dichlorophenyl)piperazin-1-yl)but-2-enyl)-1H-indole-2-carboxamide; imaging agents; tomography;diagnosis/medical/; selective, oral bioavailable drugs; nervous system disorders; central nervous system;oral administration; substance abuse ( cocaine/amphetamine); psychosis; Parkinson's UNIVERSITY OF NORTH TEXAS HEALTH SCIENCE CENTER AT FORT WORTH (US) 2009-10-20 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
US-20060106030-A1 Structurally rigid dopamine d3 receptor selective ligands and process for making them GOV'T OF THE USA AS REPRESENTED BY THE SECRETARY OF THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2006-05-18 US disclosed
WO-2004024878-A2 STRUCTURALLY RIGID DOPAMINE D3 RECEPTOR SELECTIVE LIGANDS AND PROCESS FOR MAKING THEM GOV'T OF THE U.S.A. AS REPRESENTED BY THE SECRETARY OF THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2004-03-25 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 (5 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-20060106030-A1 Structurally rigid dopamine d3 receptor selective ligands and process for making them DRD3, OPRD1, DRD2 DRD2 3/4885DRD3 1/4885DRD4 8/4885
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
US-20100068138-A1 STRUCTURALLY RIGID DOPAMINE D3 RECEPTOR SELECTIVE LIGANDS AND PROCESS FOR MAKING THEM DRD3, OPRD1, DRD2 DRD2 3/4885DRD3 1/4885DRD4 8/4885
US-20160194296-A1 PHENYL CARBAMATES AND THEIR USE AS INHIBITORS OF THE FATTY ACID AMIDE HYDROLASE (FAAH) ENZYME AND MODULATORS OF THE D3 DOPAMINE RECEPTOR (D3DR) FAAH, FAAH2, FFAR3 DRD2 9/4885DRD3 5/4885DRD4 25/4885

“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.