SCHEMBL3228349

SCHEMBL3228349

CC(C)(C)n1nc(CCCN2CCN(c3ccccc3)CC2)cc1-c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 5/20 0.50
KCNH2 Q12809 2/20 0.48
DRD2 P14416 6/20 0.47
DRD3 P35462 4/20 0.47
DRD4 P21917 4/20 0.47
CYP2D6 P10635 1/20 0.45
HTR7 P34969 2/20 0.45
CNR1 P21554 1/20 0.44
CNR2 P34972 1/20 0.44
HTR1A P08908 2/20 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
SCHEMBL3229413 0.94 KCNH2 (0.47) SIGMAR1KCNH2HTR7HTR1A
SCHEMBL3237665 0.93 SIGMAR1 (0.55) SIGMAR1DRD2DRD3DRD4HTR7
SCHEMBL3226458 0.93 SIGMAR1 (0.52) SIGMAR1KCNH2DRD2DRD3DRD4
SCHEMBL3236486 0.93 DRD2 (0.51) SIGMAR1KCNH2DRD2DRD3DRD4
SCHEMBL3226486 0.91 SIGMAR1 (0.48) SIGMAR1KCNH2DRD2DRD3DRD4
SCHEMBL3229352 0.91 HSD17B10 (0.48) SIGMAR1DRD2DRD3DRD4HTR7
SCHEMBL3228395 0.90 CACNA1G (0.46) SIGMAR1KCNH2DRD2DRD3DRD4
SCHEMBL3235128 0.89 HTR2A (0.47) SIGMAR1DRD2DRD3DRD4HTR7
SCHEMBL3229075 0.87 DRD2 (0.51) SIGMAR1DRD2DRD3DRD4HTR7
SCHEMBL3226390 0.86 DRD2 (0.48) SIGMAR1DRD2DRD3DRD4HTR1A

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 SIGMAR1 246/4885KCNH2 1834/4885DRD2 4/4885
US-20100063286-A1 PIPERAZINYL-PROPYL-PYRAZOLE DERIVATIVES AS DOPAMINE D4 RECEPTOR ANTAGONISTS, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME HTR3B, HTR3C, HTR3D SIGMAR1 246/4885KCNH2 1834/4885DRD2 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.