SCHEMBL3229287

SCHEMBL3229287

Cc1ccc(-c2cc(CCCN3CCN(c4ccccc4)CC3)nn2-c2ccccc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.55
CNR2 P34972 1/20 0.55
ALOX5 P09917 4/20 0.51
PTGS1 P23219 2/20 0.51
KCNH2 Q12809 3/20 0.50
SIGMAR1 Q99720 3/20 0.49
MAPT P10636 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
HTR7 P34969 1/20 0.47
HTR1A P08908 1/20 0.45
CYP2D6 P10635 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
SCHEMBL3228838 0.94 SIGMAR1 (0.53) CNR1CNR2ALOX5PTGS1SIGMAR1
SCHEMBL3228893 0.92 CCKAR (0.54) CNR1CNR2ALOX5PTGS1SIGMAR1
SCHEMBL3236720 0.92 CNR1 (0.61) CNR1CNR2ALOX5KCNH2SIGMAR1
SCHEMBL3229239 0.92 CNR1 (0.49) CNR1CNR2ALOX5PTGS1KCNH2
SCHEMBL3226389 0.90 SIGMAR1 (0.52) CNR1CNR2ALOX5PTGS1KCNH2
SCHEMBL3233134 0.90 MEN1 (0.49) CNR1CNR2ALOX5PTGS1KCNH2
SCHEMBL3228493 0.89 CNR1 (0.48) CNR1CNR2ALOX5PTGS1MAPT
SCHEMBL3236160 0.89 DRD2 (0.54) CNR1CNR2ALOX5KCNH2SIGMAR1
SCHEMBL3228740 0.89 SIGMAR1 (0.56) CNR1CNR2KCNH2SIGMAR1HTR7
SCHEMBL3236628 0.88 CNR1 (0.52) CNR1CNR2KCNH2SIGMAR1MAPT

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 CNR1 156/4885CNR2 250/4885ALOX5 3080/4885
US-20100063286-A1 PIPERAZINYL-PROPYL-PYRAZOLE DERIVATIVES AS DOPAMINE D4 RECEPTOR ANTAGONISTS, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME HTR3B, HTR3C, HTR3D CNR1 156/4885CNR2 250/4885ALOX5 3080/4885

“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.