SCHEMBL3228083

SCHEMBL3228083

Fc1ccc(C(c2ccc(F)cc2)N2CCN(CCCc3cc(-c4ccc(Cl)cc4)n(-c4ccccc4)n3)CC2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 7/20 0.49
DRD2 P14416 6/20 0.49
DRD4 P21917 4/20 0.49
MC4R P32245 2/20 0.47
KCNH2 Q12809 5/20 0.47
HTR2A P28223 3/20 0.46
HTR7 P34969 2/20 0.46
ALOX5 P09917 2/20 0.46
HRH1 P35367 3/20 0.44
HRH2 P25021 2/20 0.44
HTR2B P41595 2/20 0.44
USP2 O75604 2/20 0.44
ABCB11 O95342 1/20 0.44
CHRM2 P08172 1/20 0.44
ADRA2A P08913 1/20 0.44
ADRA2B P18089 1/20 0.44
ADRA2C P18825 1/20 0.44
ADRA1A P35348 1/20 0.44
OPRK1 P41145 1/20 0.44
HTR5A P47898 1/20 0.44

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
SCHEMBL3219863 0.95 DRD2 (0.52) DRD3DRD2DRD4MC4RKCNH2
SCHEMBL3232776 0.93 DRD2 (0.50) DRD3DRD2DRD4MC4RKCNH2
SCHEMBL3228396 0.91 DRD2 (0.49) DRD3DRD2DRD4MC4RKCNH2
SCHEMBL3231339 0.89 MC4R (0.50) DRD3DRD2DRD4MC4RKCNH2
SCHEMBL3232087 0.87 SIGMAR1 (0.53) DRD3DRD2DRD4KCNH2HTR2A
SCHEMBL3228537 0.83 DRD2 (0.51) DRD3DRD2DRD4MC4RHTR2A
SCHEMBL3228508 0.83 MC4R (0.44) DRD3DRD2DRD4MC4RKCNH2
SCHEMBL3228740 0.82 SIGMAR1 (0.56) DRD3DRD2DRD4KCNH2HTR2A
SCHEMBL3236160 0.82 DRD2 (0.54) DRD3DRD2DRD4KCNH2HTR2A
SCHEMBL3233229 0.81 SIGMAR1 (0.58) DRD3DRD2DRD4HTR2AHTR7

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-8236806-B2 Piperazinyl-propyl-pyrazole derivatives as dopamine D4 receptor antagonists, and pharmaceutical compositions containing the same KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2012-08-07 US claimed
US-20100063286-A1 PIPERAZINYL-PROPYL-PYRAZOLE DERIVATIVES AS DOPAMINE D4 RECEPTOR ANTAGONISTS, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2010-03-11 US claimed
WO-2008108517-A2 PIPERAZINYL-PROPYL-PYRAZOLE DERIVATIVES AS DOPAMINE D4 RECEPTOR ANTAGONISTS, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2008-09-12 WO claimed
US-8372844-B2 Piperazinyl-propyl-pyrazole derivatives as dopamine D4 receptor antagonists, and pharmaceutical compositions containing the same KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2013-02-12 US disclosed
US-20120209001-A1 PIPERAZINYL-PROPYL-PYRAZOLE DERIVATIVES AS DOPAMINE D4 RECEPTOR ANTAGONISTS, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2012-08-16 US disclosed
US-8236806-B2 Piperazinyl-propyl-pyrazole derivatives as dopamine D4 receptor antagonists, and pharmaceutical compositions containing the same KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2012-08-07 US disclosed
US-20100063286-A1 PIPERAZINYL-PROPYL-PYRAZOLE DERIVATIVES AS DOPAMINE D4 RECEPTOR ANTAGONISTS, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2010-03-11 US disclosed
WO-2008108517-A2 PIPERAZINYL-PROPYL-PYRAZOLE DERIVATIVES AS DOPAMINE D4 RECEPTOR ANTAGONISTS, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2008-09-12 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-20120209001-A1 PIPERAZINYL-PROPYL-PYRAZOLE DERIVATIVES AS DOPAMINE D4 RECEPTOR ANTAGONISTS, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME HTR3B, HTR3C, HTR3D DRD3 5/4885DRD2 4/4885DRD4 7/4885
US-20100063286-A1 PIPERAZINYL-PROPYL-PYRAZOLE DERIVATIVES AS DOPAMINE D4 RECEPTOR ANTAGONISTS, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME HTR3B, HTR3C, HTR3D DRD3 5/4885DRD2 4/4885DRD4 7/4885

“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.