SCHEMBL910873

SCHEMBL910873

COc1cc2c(cc1O)CCN1Cc3c(ccc(OC)c3OS(=O)(=O)c3cccc(F)c3)C(C)C21

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.58
DRD1 P21728 14/20 0.49
DRD2 P14416 9/20 0.49
DRD3 P35462 5/20 0.49
DRD5 P21918 3/20 0.49
SIGMAR1 Q99720 2/20 0.45
DRD4 P21917 2/20 0.45
ADRA1D P25100 1/20 0.45
ADRA1A P35348 1/20 0.45
ADRA1B P35368 1/20 0.45
F3 P13726 2/20 0.44
SCN5A Q14524 1/20 0.43
SCN9A Q15858 1/20 0.43
LMNA P02545 3/20 0.42
KDM4E B2RXH2 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CASP1 P29466 1/20 0.42
CYP2C19 P33261 1/20 0.42

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
SCHEMBL29999161 1.00 MAOB (0.58) MAOBDRD1DRD2DRD3DRD5
SCHEMBL910911 0.91 MAOB (0.54) MAOBDRD1DRD2DRD3DRD5
SCHEMBL30000276 0.91 MAOB (0.54) MAOBDRD1DRD2DRD3DRD5
SCHEMBL909976 0.88 MAOB (0.54) MAOBDRD1DRD2DRD3DRD5
SCHEMBL30000063 0.88 MAOB (0.54) MAOBDRD1DRD2DRD3DRD5
SCHEMBL910498 0.86 MAOB (0.56) MAOBDRD1DRD2DRD3DRD5
SCHEMBL30000403 0.86 MAOB (0.56) MAOBDRD1DRD2DRD3DRD5
SCHEMBL29999638 0.85 MAOB (0.71) MAOBDRD1DRD2DRD3DRD5
SCHEMBL910446 0.85 MAOB (0.71) MAOBDRD1DRD2DRD3DRD5
SCHEMBL909978 0.83 MAOB (0.49) MAOBADRA1DADRA1AADRA1BSCN5A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220387403-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR TREATING NASH, NAFLD, AND OBESITY CVI PHARMACEUTICALS LIMITED (KY) 2022-12-08 US disclosed
US-20220387403-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR TREATING NASH, NAFLD, AND OBESITY CVI PHARMACEUTICALS LIMITED (KY) 2022-12-08 US disclosed
EP-2370434-B1 ISOQUINOLINYL-CONTAINING ALKALOID COMPOUNDS AND COMPOSITIONS USEFUL FOR REDUCING LIPID LEVELS CVI PHARMACEUTICALS LTD (KY) 2014-09-17 EP disclosed
US-8710071-B2 Compounds, compositions and methods for reducing lipid levels CVI PHARMACEUTICALS LIMITED (KY) 2014-04-29 US disclosed
US-8710071-B2 Compounds, compositions and methods for reducing lipid levels CVI PHARMACEUTICALS LIMITED (KY) 2014-04-29 US disclosed
US-20120004223-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR REDUCING LIPID LEVELS CVI PHARMACEUTICALS LIMITED (KY) 2012-01-05 US disclosed
US-20120004223-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR REDUCING LIPID LEVELS CVI PHARMACEUTICALS LIMITED (KY) 2012-01-05 US disclosed
US-20110009628-A1 Compounds and Compositions for Modulating Lipid Levels and Methods of Preparing Same CVI PHARMACEUTICALS LIMITED (KY) 2011-01-13 US disclosed
US-20110009628-A1 Compounds and Compositions for Modulating Lipid Levels and Methods of Preparing Same CVI PHARMACEUTICALS LIMITED (KY) 2011-01-13 US disclosed
US-20110009628-A1 Compounds and Compositions for Modulating Lipid Levels and Methods of Preparing Same CVI PHARMACEUTICALS LIMITED (KY) 2011-01-13 US disclosed
WO-2011006000-A1 BERBERINE DERIVATIVES USEFUL FOR MODULATING LIPID LEVELS AND THEIR METHODS OF SYNTHESIS LIU HAIYAN (US) 2011-01-13 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 (3 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-20110009628-A1 Compounds and Compositions for Modulating Lipid Levels and Methods of Preparing Same LIPC, LDLR, PCSK9 MAOB 2239/4885DRD1 4873/4885DRD2 4863/4885
US-20220387403-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR TREATING NASH, NAFLD, AND OBESITY LIPC, FABP1, CPT1A MAOB 1008/4885DRD1 4727/4885DRD2 4557/4885
US-20120004223-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR REDUCING LIPID LEVELS LIPC, LDLR, PCSK9 MAOB 1600/4885DRD1 4858/4885DRD2 4824/4885

“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.