SCHEMBL3228526

SCHEMBL3228526

O=CCCc1cc(-c2ccc(Cl)cc2)n(-c2ccccc2)n1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RXRA P19793 4/20 0.56
RXRB P28702 4/20 0.56
RXRG P48443 4/20 0.56
L3MBTL1 Q9Y468 1/20 0.55
MALT1 Q9UDY8 11/20 0.54
CNR1 P21554 1/20 0.52
CNR2 P34972 1/20 0.52
SLC16A3 O15427 1/20 0.50
SLC16A1 P53985 1/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
PTGS1 P23219 1/20 0.49
PTGS2 P35354 1/20 0.49

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
SCHEMBL3236667 0.91 CNR1 (0.62) RXRARXRBRXRGCNR1CNR2
SCHEMBL3229159 0.87 CNR1 (0.52) RXRARXRBRXRGMALT1CNR1
SCHEMBL3227364 0.87 CNR1 (0.55) RXRARXRBRXRGCNR1CNR2
SCHEMBL9519599 0.84 PTGS2 (0.67) RXRARXRBRXRGMALT1PTGS1
SCHEMBL3233584 0.84 CCKAR (0.53) RXRARXRBRXRGCNR1CNR2
SCHEMBL27775443 0.83 RXRA (0.56) RXRARXRBRXRGL3MBTL1MALT1
SCHEMBL9522392 0.82 RXRA (0.81) RXRARXRBRXRGL3MBTL1MALT1
SCHEMBL9520300 0.76 ALOX5 (0.79) RXRARXRBRXRGL3MBTL1MALT1
Sulfamide SCHEMBL7182772 0.76 PTGS2 (0.76) L3MBTL1MALT1PTGS1PTGS2
SCHEMBL3234352 0.76 CNR1 (0.42) RXRARXRBRXRGL3MBTL1CNR1

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 RXRA 1765/4885RXRB 1311/4885RXRG 1610/4885
US-20100063286-A1 PIPERAZINYL-PROPYL-PYRAZOLE DERIVATIVES AS DOPAMINE D4 RECEPTOR ANTAGONISTS, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME HTR3B, HTR3C, HTR3D RXRA 1765/4885RXRB 1311/4885RXRG 1610/4885

“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.