SCHEMBL3120197

SCHEMBL3120197

CCOc1cc(C(C)C)ccc1C1CCN(CCCCNC(=O)c2ccc(NC(=O)c3ccc(Cl)cc3)cc2)CC1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.49
SLC2A1 P11166 1/20 0.48
DRD2 P14416 8/20 0.46
DRD3 P35462 6/20 0.46
DRD4 P21917 5/20 0.44
KDM4E B2RXH2 1/20 0.43
HTT P42858 1/20 0.43
DRD1 P21728 1/20 0.42
CCR2 P41597 1/20 0.42
ADRA1A P35348 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
SCHEMBL3120446 0.92 DRD2 (0.51) LMNASLC2A1DRD2DRD3DRD4
SCHEMBL6661963 0.90 SLC2A1 (0.50) SLC2A1DRD2DRD3DRD4KDM4E
SCHEMBL29662230 0.90 SLC2A1 (0.50) SLC2A1DRD2DRD3DRD4KDM4E
SCHEMBL3123342 0.90 SLC2A1 (0.50) SLC2A1DRD2DRD3DRD4KDM4E
SCHEMBL3117879 0.90 SLC2A1 (0.50) SLC2A1DRD2DRD3DRD4KDM4E
SCHEMBL6712456 0.88 SLC2A1 (0.48) SLC2A1DRD2DRD3DRD4KDM4E
SCHEMBL3121723 0.83 DRD2 (0.51) SLC2A1DRD2DRD3DRD4DRD1
SCHEMBL3117184 0.82 DRD2 (0.54) SLC2A1DRD2DRD3DRD4DRD1
SCHEMBL6805753 0.81 SLC2A1 (0.49) SLC2A1DRD2DRD3DRD4KDM4E
Hydrochloric Acid SCHEMBL6707202 0.81 DRD2 (0.53) SLC2A1DRD2DRD3DRD4DRD1

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-20040077654-A1 Aryl piperidine and piperazine derivatives as inducers of ldl-receptor expression SMITHKLINE BEECHAM CORPORATION 2004-04-22 US claimed
EP-1351936-A1 ARYL PIPERIDINE AND PIPERAZINE DERIVATIVES AS INDUCERS OF LDL-RECEPTOR EXPRESSION GLAXO GROUP LIMITED (GB) 2003-10-15 EP claimed
WO-2002055496-A1 ARYL PIPERIDINE AND PIPERAZINE DERIVATIVES AS INDUCERS OF LDL-RECEPTOR EXPRESSION GLAXO GROUP LIMITED (GB) 2002-07-18 WO claimed
US-9023656-B2 Reactive mass labels ELECTROPHORETICS LIMITED (GB) 2015-05-05 US disclosed
EP-1907860-B1 MASS LABELS ELECTROPHORETICS LTD (GB) 2010-11-17 EP disclosed
US-20100178710-A1 Mass Labels ELECTROPHORETICS LIMITED (GB) 2010-07-15 US disclosed
CN-101313223-A Mass labels for biomolecules comprising a 2, 6-dimethyl-piperidin-1-yl-methylene or pyrimidin-2-ylthiomethylene mass label moiety and a succinimidyl-oxy-carbonyl active functional group ELECTROPHORETICS LTD (GB) 2008-11-26 CN disclosed
US-20040077654-A1 Aryl piperidine and piperazine derivatives as inducers of ldl-receptor expression SMITHKLINE BEECHAM CORPORATION 2004-04-22 US disclosed
EP-1351936-A1 ARYL PIPERIDINE AND PIPERAZINE DERIVATIVES AS INDUCERS OF LDL-RECEPTOR EXPRESSION GLAXO GROUP LIMITED (GB) 2003-10-15 EP disclosed
WO-2002055496-A1 ARYL PIPERIDINE AND PIPERAZINE DERIVATIVES AS INDUCERS OF LDL-RECEPTOR EXPRESSION GLAXO GROUP LIMITED (GB) 2002-07-18 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-20100178710-A1 Mass Labels B2M, SRRM2, CCNB1 LMNA 36/4885SLC2A1 3324/4885DRD2 3923/4885
US-20040077654-A1 Aryl piperidine and piperazine derivatives as inducers of ldl-receptor expression LDLR, NR1H2, NCOR1 LMNA 2280/4885SLC2A1 419/4885DRD2 1008/4885

“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.