SCHEMBL3235779

SCHEMBL3235779

CCCCc1cc(CCC=O)n(-c2ccccc2)n1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.56
CNR2 P34972 1/20 0.56
ALOX5 P09917 1/20 0.50
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
RXRA P19793 2/20 0.40
RXRB P28702 2/20 0.40
RXRG P48443 2/20 0.40
CACNA1G O43497 3/20 0.39
CACNA1H O95180 3/20 0.39
KCNH2 Q12809 3/20 0.39
TLR7 Q9NYK1 2/20 0.38
SOAT2 O75908 6/20 0.37
SOAT1 P35610 6/20 0.37
HTR6 P50406 2/20 0.36
PDE4A P27815 1/20 0.36
PDE4B Q07343 1/20 0.36
PDE4C Q08493 1/20 0.36
PDE4D Q08499 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 0.92 ALDH1A1 (0.51) CNR1CNR2ALOX5ALDH1A1LMNA
SCHEMBL3236666 0.90 ALDH1A1 (0.47) CNR1CNR2ALOX5ALDH1A1LMNA
SCHEMBL3232635 0.88 ALOX5 (0.44) CNR1CNR2ALOX5ALDH1A1LMNA
SCHEMBL3232114 0.87 CNR1 (0.43) CNR1CNR2ALOX5ALDH1A1LMNA
SCHEMBL3236469 0.87 CNR2 (0.42) CNR1CNR2ALOX5ALDH1A1LMNA
SCHEMBL3236049 0.86 ALOX5 (0.43) CNR1CNR2ALOX5LMNARXRA
SCHEMBL3234276 0.86 CNR2 (0.44) CNR1CNR2ALOX5RXRARXRB
SCHEMBL3224858 0.84 RXRA (0.42) CNR1CNR2ALOX5ALDH1A1LMNA
SCHEMBL27796565 0.84 ALOX5 (0.41) CNR1CNR2ALOX5TLR7
SCHEMBL3228184 0.83 ALOX5 (0.41) CNR1CNR2ALOX5RXRARXRB

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 250/4885ALOX5 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.