SCHEMBL3227181

SCHEMBL3227181

O=C(CCCO)CC(=O)c1ccc(Cl)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ERCC5 P28715 1/20 0.53
▸ FEN1 P39748 1/20 0.53
▸ GSK3B P49841 2/20 0.50
▸ L3MBTL1 Q9Y468 5/20 0.48
▸ MAPT P10636 3/20 0.48
▸ KDM4E B2RXH2 2/20 0.48
▸ LMNA P02545 2/20 0.48
▸ ALDH1A1 P00352 1/20 0.44
▸ KMT2A Q03164 3/20 0.44
▸ MEN1 O00255 2/20 0.44
▸ MMP1 P03956 1/20 0.43
▸ RAB9A P51151 5/20 0.42
▸ NPC1 O15118 4/20 0.42
▸ CES2 O00748 1/20 0.42
▸ CES1 P23141 1/20 0.42
▸ TP53 P04637 1/20 0.42
▸ POLB P06746 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ ALOX15 P16050 1/20 0.41

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
SCHEMBL29007092 0.85 GSK3B (0.57) ERCC5FEN1GSK3BL3MBTL1MAPT
SCHEMBL28771856 0.82 ERCC5 (0.67) ERCC5FEN1GSK3BL3MBTL1MAPT
SCHEMBL14844948 0.82 NPC1 (0.58) L3MBTL1MAPTKDM4EALDH1A1KMT2A
SCHEMBL9180801 0.81 TDP1 (0.59) ERCC5FEN1GSK3BL3MBTL1MAPT
SCHEMBL11799617 0.81 HSD17B3 (0.54) ERCC5FEN1GSK3BL3MBTL1MAPT
SCHEMBL14844943 0.81 SMN1; SMN2 (0.40) MAPTALDH1A1KMT2AMEN1RAB9A
SCHEMBL5376417 0.80 ERCC5 (0.59) ERCC5FEN1GSK3BL3MBTL1MAPT
SCHEMBL14845045 0.78 CES2 (0.47) MAPTALDH1A1KMT2AMEN1RAB9A
SCHEMBL600674 0.78 ERCC5 (0.72) ERCC5FEN1GSK3BL3MBTL1MAPT
SCHEMBL7009491 0.78 L3MBTL1 (0.53) ERCC5FEN1GSK3BL3MBTL1MAPT

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-0248594-B1 Pharmacologically active 1,5-diaryl-3-substituted-pyrazoles and method for synthesizing the same ORTHO PHARMA CORP (US) 1993-11-24 — — EP disclosed
US-5242940-A Antiinflammatory agents ORTHO PHARMACEUTICAL CORPORATION (US) 1993-09-07 — — US disclosed
US-5164381-A Cardiovascular, antiinflammatory ORTHO PHARMACEUTICAL CORPORATION (US) 1992-11-17 — — US disclosed
US-4826868-A 1,5-Diaryl-3-substituted pyrazoles pharmaceutical compositions and use ORTHO PHARMACEUTICAL CORPORATION (US) 1989-05-02 — — US disclosed
EP-0248594-A2 Pharmacologically active 1,5-diaryl-3-substituted-pyrazoles and method for synthesizing the same ORTHO PHARMACEUTICAL CORPORATION (US) 1987-12-09 — — EP 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 ERCC5 3522/4885FEN1 4495/4885GSK3B 832/4885
US-20100063286-A1 PIPERAZINYL-PROPYL-PYRAZOLE DERIVATIVES AS DOPAMINE D4 RECEPTOR ANTAGONISTS, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME HTR3B, HTR3C, HTR3D ERCC5 3522/4885FEN1 4495/4885GSK3B 832/4885

“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.

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