SCHEMBL3079036

SCHEMBL3079036

COc1ccccc1N1CCN(CC(O)CCNC(=O)c2cc3ccccc3[nH]2)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 20/20 1.00
DRD4 P21917 13/20 1.00
HTR1A P08908 9/20 1.00
DRD1 P21728 3/20 0.86
DRD2 P14416 14/20 0.82
HTR2A P28223 9/20 0.82
HTR2C P28335 7/20 0.73
KCNH2 Q12809 1/20 0.73

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
SCHEMBL3082618 0.92 DRD3 (1.00) DRD3DRD4HTR1ADRD1DRD2
SCHEMBL16140182 0.92 DRD3 (1.00) DRD3DRD4HTR1ADRD1DRD2
SCHEMBL13094461 0.90 DRD3 (1.00) DRD3DRD4HTR1ADRD1DRD2
SCHEMBL13094459 0.86 DRD3 (1.00) DRD3DRD4HTR1ADRD1DRD2
SCHEMBL6357580 0.85 DRD3 (0.94) DRD3DRD4HTR1ADRD2HTR2A
SCHEMBL5504452 0.85 DRD3 (1.00) DRD3DRD4HTR1ADRD2HTR2A
SCHEMBL3080288 0.84 DRD3 (1.00) DRD3DRD4HTR1ADRD1DRD2
SCHEMBL15764435 0.84 DRD3 (1.00) DRD3DRD4HTR1ADRD1DRD2
SCHEMBL30298996 0.84 DRD3 (1.00) DRD3DRD4HTR1ADRD1DRD2
SCHEMBL15764372 0.84 DRD3 (1.00) DRD3DRD4HTR1ADRD1DRD2

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 8 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 claimed
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 claimed
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 claimed
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-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
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

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 DRD3 1/4885DRD4 4/4885HTR1A 192/4885
US-20140296249-A1 4-PHENYLPIPERAZINE DERIVATIVES WITH FUNCTIONALIZED LINKERS AS DOPAMINE D3 RECEPTOR SELECTIVE LIGANDS AND METHODS OF USE DRD3, DRD2, SLC6A3 DRD3 1/4885DRD4 6/4885HTR1A 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.