SCHEMBL3231889

SCHEMBL3231889

Cc1ccc(-c2cc(CCCN3CCN(c4ccc(C)cc4C)CC3)nn2C(C)(C)C)cc1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
HTR1A P08908 2/20 0.39
GSK3B P49841 2/20 0.39
LMNA P02545 1/20 0.38
HTR7 P34969 2/20 0.38
CACNA1G O43497 1/20 0.38
DRD2 P14416 7/20 0.37
DRD4 P21917 4/20 0.37
IGF1R P08069 1/20 0.37
HTR2A P28223 1/20 0.37
ADRA1A P35348 1/20 0.37
TP53 P04637 1/20 0.36

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
SCHEMBL3232129 0.94 KMT2A (0.41) MEN1KMT2AHTR1AGSK3BLMNA
SCHEMBL3234990 0.94 DRD2 (0.43) MEN1KMT2AHTR1AGSK3BLMNA
SCHEMBL3225128 0.94 MEN1 (0.49) MEN1KMT2AHTR1AGSK3BHTR7
SCHEMBL3222327 0.93 POLB (0.41) MEN1KMT2AHTR1AGSK3BHTR7
SCHEMBL3233621 0.87 HTR2A (0.46) MEN1KMT2AHTR1ADRD2HTR2A
SCHEMBL3232807 0.85 ALDH1A1 (0.45) MEN1KMT2AHTR1ADRD2DRD4
SCHEMBL4250494 0.85 CACNA1G (0.47) HTR1AGSK3BLMNAHTR7CACNA1G
SCHEMBL3237584 0.85 CACNA1G (0.39) MEN1KMT2AHTR1AGSK3BCACNA1G
SCHEMBL3227979 0.85 DRD2 (0.45) MEN1KMT2AHTR1ALMNAHTR7
SCHEMBL3229413 0.84 KCNH2 (0.47) MEN1KMT2AHTR1AHTR7

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 7 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
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 MEN1 3749/4885KMT2A 4390/4885HTR1A 28/4885
US-20100063286-A1 PIPERAZINYL-PROPYL-PYRAZOLE DERIVATIVES AS DOPAMINE D4 RECEPTOR ANTAGONISTS, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME HTR3B, HTR3C, HTR3D MEN1 3749/4885KMT2A 4390/4885HTR1A 28/4885

“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.