SCHEMBL3232114

SCHEMBL3232114

CCc1cc(CCC=O)n(-c2ccccc2)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.43
CNR2 P34972 1/20 0.43
CACNA1G O43497 4/20 0.41
CACNA1H O95180 4/20 0.41
KCNH2 Q12809 4/20 0.41
ALDH1A1 P00352 2/20 0.40
LMNA P02545 1/20 0.40
HTR6 P50406 6/20 0.38
MAPK1 P28482 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
KDM4C Q9H3R0 1/20 0.37
NPC1 O15118 1/20 0.37
NFKB1 P19838 1/20 0.37
RAB9A P51151 1/20 0.37
NFKB2 Q00653 1/20 0.37
RELA Q04206 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ALOX5 P09917 1/20 0.36
NR4A3 Q92570 1/20 0.36
RXRA P19793 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
SCHEMBL3234769 0.90 ALDH1A1 (0.51) CNR1CNR2CACNA1GCACNA1HKCNH2
SCHEMBL3236666 0.88 ALDH1A1 (0.47) CNR1CNR2CACNA1GCACNA1HKCNH2
SCHEMBL3235779 0.87 CNR1 (0.56) CNR1CNR2CACNA1GCACNA1HKCNH2
SCHEMBL3227528 0.84 KCNH2 (0.53) CNR1CNR2CACNA1GCACNA1HKCNH2
SCHEMBL28729848 0.84 CNR1 (0.45) CNR1CNR2CACNA1GCACNA1HKCNH2
SCHEMBL3231877 0.81 MAPK1 (0.51) ALDH1A1LMNAMAPK1L3MBTL1KDM4C
SCHEMBL28051319 0.81 CNR1 (0.44) CNR1CNR2CACNA1GCACNA1HKCNH2
SCHEMBL28645869 0.80 CNR1 (0.42) CNR1CNR2CACNA1GCACNA1HKCNH2
SCHEMBL3237113 0.79 ALDH1A1 (0.54) CACNA1GCACNA1HKCNH2ALDH1A1HTR6
SCHEMBL3224818 0.77 RXRA (0.40) CNR1CNR2ALDH1A1LMNANPC1

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 CNR1 156/4885CNR2 250/4885CACNA1G 2726/4885
US-20100063286-A1 PIPERAZINYL-PROPYL-PYRAZOLE DERIVATIVES AS DOPAMINE D4 RECEPTOR ANTAGONISTS, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME HTR3B, HTR3C, HTR3D CNR1 156/4885CNR2 250/4885CACNA1G 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.