SCHEMBL3227528

SCHEMBL3227528

CC(C)Cc1cc(CCC=O)n(-c2ccccc2)n1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 9/20 0.53
CACNA1H O95180 9/20 0.53
CACNA1G O43497 8/20 0.53
HTR6 P50406 7/20 0.48
ALDH1A1 P00352 1/20 0.38
GAA P10253 1/20 0.38
CNR1 P21554 1/20 0.37
CNR2 P34972 1/20 0.37
PARP1 P09874 1/20 0.37
MDM2 Q00987 1/20 0.36
MCL1 Q07820 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
SCHEMBL3232114 0.84 CNR1 (0.43) KCNH2CACNA1HCACNA1GHTR6ALDH1A1
SCHEMBL3234769 0.83 ALDH1A1 (0.51) KCNH2CACNA1HCACNA1GHTR6ALDH1A1
SCHEMBL3236666 0.82 ALDH1A1 (0.47) KCNH2CACNA1HCACNA1GHTR6ALDH1A1
SCHEMBL13423350 0.81 KCNH2 (0.53) KCNH2CACNA1HCACNA1GHTR6ALDH1A1
SCHEMBL3237113 0.81 ALDH1A1 (0.54) KCNH2CACNA1HCACNA1GHTR6ALDH1A1
SCHEMBL3235779 0.81 CNR1 (0.56) KCNH2CACNA1HCACNA1GHTR6ALDH1A1
SCHEMBL3231877 0.78 MAPK1 (0.51) ALDH1A1GAA
SCHEMBL23400074 0.76 CACNA1H (0.47) KCNH2CACNA1HCACNA1GHTR6ALDH1A1
SCHEMBL3300740 0.75 KCNH2 (0.60) KCNH2CACNA1HCACNA1GHTR6ALDH1A1
SCHEMBL17259259 0.75 KCNH2 (0.60) KCNH2CACNA1HCACNA1GHTR6ALDH1A1

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
CN-101663289-B Piperazinyl-propyl-pyrazole derivatives as dopamine d4 receptor antagonists, and pharmaceutical compositions containing the same KOREA RES INST CHEM TECH 2014-07-23 CN disclosed
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
CN-101663289-A Piperazinyl-propyl-pyrazole derivatives and the pharmaceutical composition that comprises them as dopamine d 4 receptor antagonists KOREA RES INST CHEM TECH 2010-03-03 CN 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 KCNH2 1834/4885CACNA1H 2693/4885CACNA1G 2726/4885
US-20100063286-A1 PIPERAZINYL-PROPYL-PYRAZOLE DERIVATIVES AS DOPAMINE D4 RECEPTOR ANTAGONISTS, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME HTR3B, HTR3C, HTR3D KCNH2 1834/4885CACNA1H 2693/4885CACNA1G 2726/4885

“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.