SCHEMBL3233229

SCHEMBL3233229

Clc1ccc(-c2cc(CCCN3CCN(c4ccc(Cl)cc4)CC3)nn2-c2ccccc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 4/20 0.58
DRD3 P35462 7/20 0.56
DRD2 P14416 6/20 0.56
DRD4 P21917 4/20 0.56
HTR2C P28335 5/20 0.53
CNR1 P21554 1/20 0.51
CNR2 P34972 1/20 0.51
HTR1A P08908 6/20 0.51
HTR7 P34969 5/20 0.51
HTR2A P28223 4/20 0.51
DRD1 P21728 4/20 0.51
SLC6A4 P31645 3/20 0.51
RXRA P19793 2/20 0.50
RXRB P28702 2/20 0.50
RXRG P48443 2/20 0.50
TMEM97 Q5BJF2 1/20 0.50
HRH1 P35367 1/20 0.48
MALT1 Q9UDY8 1/20 0.48

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
SCHEMBL3228740 0.99 SIGMAR1 (0.56) SIGMAR1DRD3DRD2DRD4HTR2C
SCHEMBL3228411 0.98 SIGMAR1 (0.58) SIGMAR1DRD3DRD2DRD4HTR2C
SCHEMBL3228838 0.95 SIGMAR1 (0.53) SIGMAR1DRD3DRD2DRD4HTR2C
SCHEMBL3232087 0.95 SIGMAR1 (0.53) SIGMAR1DRD3DRD2DRD4HTR2C
SCHEMBL3227558 0.93 SIGMAR1 (0.50) SIGMAR1DRD3DRD2DRD4HTR2C
SCHEMBL3234130 0.92 PTGS2 (0.55) SIGMAR1DRD3DRD2DRD4HTR2C
SCHEMBL3236456 0.92 PTGS2 (0.55) SIGMAR1DRD3DRD2DRD4HTR2C
SCHEMBL3231349 0.91 SIGMAR1 (0.48) SIGMAR1DRD3DRD2DRD4HTR2C
SCHEMBL3236720 0.91 CNR1 (0.61) SIGMAR1DRD3DRD2DRD4CNR1
SCHEMBL3222533 0.88 CACNA1G (0.47) SIGMAR1DRD3DRD2DRD4HTR2C

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 SIGMAR1 246/4885DRD3 5/4885DRD2 4/4885
US-20100063286-A1 PIPERAZINYL-PROPYL-PYRAZOLE DERIVATIVES AS DOPAMINE D4 RECEPTOR ANTAGONISTS, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME HTR3B, HTR3C, HTR3D SIGMAR1 246/4885DRD3 5/4885DRD2 4/4885

“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.