SCHEMBL3229075

SCHEMBL3229075

CC(C)(C)n1nc(CCCN2CCN(c3ccc(Cl)cc3)CC2)cc1-c1ccc(Cl)cc1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 13/20 0.51
DRD4 P21917 9/20 0.51
DRD3 P35462 7/20 0.51
SIGMAR1 Q99720 2/20 0.49
KDM4E B2RXH2 1/20 0.48
GAA P10253 1/20 0.48
DRD1 P21728 5/20 0.46
HTR1A P08908 4/20 0.46
HTR2A P28223 4/20 0.46
HTR2C P28335 3/20 0.46
SLC6A4 P31645 3/20 0.46
HTR7 P34969 3/20 0.46
DRD5 P21918 1/20 0.44
TMEM97 Q5BJF2 1/20 0.44
HRH1 P35367 2/20 0.43
HRH2 P25021 1/20 0.43
HRH3 Q9Y5N1 1/20 0.43

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
SCHEMBL3231213 0.96 DRD2 (0.48) DRD2DRD4DRD3SIGMAR1KDM4E
SCHEMBL3228351 0.95 DRD2 (0.53) DRD2DRD4DRD3SIGMAR1KDM4E
SCHEMBL3226458 0.95 SIGMAR1 (0.52) DRD2DRD4DRD3SIGMAR1KDM4E
SCHEMBL3237665 0.95 SIGMAR1 (0.55) DRD2DRD4DRD3SIGMAR1KDM4E
SCHEMBL3231817 0.93 DRD2 (0.50) DRD2DRD4DRD3SIGMAR1HRH1
SCHEMBL3226346 0.93 DRD2 (0.50) DRD2DRD4DRD3SIGMAR1HRH1
SCHEMBL3227450 0.93 SIGMAR1 (0.46) DRD2DRD4DRD3SIGMAR1KDM4E
SCHEMBL3231452 0.92 DRD2 (0.44) DRD2DRD4DRD3SIGMAR1KDM4E
SCHEMBL3224432 0.88 KCNH2 (0.55) DRD2DRD4KDM4EHTR1A
SCHEMBL3228750 0.87 HSD17B10 (0.51) DRD2DRD4DRD3HTR1AHTR2A

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 6 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
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

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 DRD2 4/4885DRD4 7/4885DRD3 5/4885
US-20100063286-A1 PIPERAZINYL-PROPYL-PYRAZOLE DERIVATIVES AS DOPAMINE D4 RECEPTOR ANTAGONISTS, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME HTR3B, HTR3C, HTR3D DRD2 4/4885DRD4 7/4885DRD3 5/4885

“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.