SCHEMBL3080386

SCHEMBL3080386

COc1ccccc1N1CCN(CCCCNC(=O)c2ccc3c(c2)Cc2ccccc2-3)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 16/20 1.00
DRD3 P35462 13/20 1.00
DRD4 P21917 10/20 1.00
HTR1A P08908 9/20 1.00
HTR2A P28223 5/20 1.00
HTR2C P28335 5/20 1.00
ADRA2A P08913 4/20 0.73
ADRA1D P25100 3/20 0.73
ADRA1A P35348 3/20 0.73
ADRA1B P35368 3/20 0.73
MEN1 O00255 2/20 0.73
KMT2A Q03164 2/20 0.73
DRD1 P21728 2/20 0.73
HTR2B P41595 2/20 0.73
LMNA P02545 1/20 0.73
TP53 P04637 1/20 0.73
CYP1A2 P05177 1/20 0.73
CYP3A4 P08684 1/20 0.73
CYP2D6 P10635 1/20 0.73
TSHR P16473 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
Hydrochloric Acid SCHEMBL7765350 0.99 DRD2 (0.98) DRD2DRD3DRD4HTR1AHTR2A
SCHEMBL7342827 0.90 DRD2 (0.81) DRD2DRD3DRD4HTR1AHTR2A
SCHEMBL7769531 0.88 DRD2 (0.79) DRD2DRD3DRD4HTR1AHTR2A
Hydrochloric Acid SCHEMBL7767949 0.87 DRD2 (0.77) DRD2DRD3DRD4HTR1AHTR2A
Hydrochloric Acid SCHEMBL7767904 0.87 DRD2 (0.77) DRD2DRD3DRD4HTR1AHTR2A
SCHEMBL7769911 0.87 DRD2 (0.90) DRD2DRD3DRD4HTR1AHTR2A
SCHEMBL7767902 0.86 DRD2 (0.76) DRD2DRD3DRD4HTR1AHTR2A
SCHEMBL7769974 0.86 DRD2 (0.76) DRD2DRD3DRD4HTR1AHTR2A
Hydrochloric Acid SCHEMBL7766169 0.86 DRD2 (0.88) DRD2DRD3DRD4HTR1AHTR2A
Hydrochloric Acid SCHEMBL7766165 0.86 DRD2 (0.75) DRD2DRD3DRD4HTR1AHTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0873329-B1 NOVEL N-AMINOALKYLFLUORENECARBOXAMIDES; A NEW CLASS OF DOPAMINE RECEPTOR SUBTYPE SPECIFIC LIGANDS NEUROGEN CORP (US) 2001-06-06 EP 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-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.