SCHEMBL910897

SCHEMBL910897

COc1ccc2c(c1)CCN1Cc3c(ccc(OC)c3OS(=O)(=O)c3cccc(F)c3)CC21

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DRD1 P21728 12/20 0.58
DRD2 P14416 10/20 0.53
DRD3 P35462 7/20 0.53
DRD5 P21918 6/20 0.53
F3 P13726 5/20 0.53
SIGMAR1 Q99720 2/20 0.53
CYP3A4 P08684 2/20 0.53
LMNA P02545 2/20 0.52
TSHR P16473 1/20 0.52
DRD4 P21917 3/20 0.51
CYP1A2 P05177 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C19 P33261 1/20 0.49
ADRA1A P35348 1/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
HTR1A P08908 1/20 0.46

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
SCHEMBL29405499 1.00 DRD1 (0.58) DRD1DRD2DRD3DRD5F3
SCHEMBL26203168 1.00 DRD1 (0.58) DRD1DRD2DRD3DRD5F3
SCHEMBL26203178 1.00 DRD1 (0.58) DRD1DRD2DRD3DRD5F3
SCHEMBL29999984 0.92 DRD1 (0.52) DRD1DRD2DRD3DRD5F3
SCHEMBL910628 0.92 DRD1 (0.52) DRD1DRD2DRD3DRD5F3
SCHEMBL29999216 0.92 DRD1 (0.64) DRD1DRD2DRD3DRD5F3
SCHEMBL909817 0.92 DRD1 (0.64) DRD1DRD2DRD3DRD5F3
SCHEMBL909815 0.91 DRD1 (0.62) DRD1DRD2DRD3DRD5F3
SCHEMBL30000441 0.91 DRD1 (0.62) DRD1DRD2DRD3DRD5F3
SCHEMBL26203165 0.90 DRD1 (0.59) DRD1DRD2DRD3DRD5F3

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115279755-A Compounds, compositions and methods for treating NASH, NAFLD, and obesity CVI制药有限公司 2022-11-01 CN claimed
WO-2021067490-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR TREATING NASH, NAFLD, AND OBESITY CVI PHARMACEUTICALS LIMITED (KY) 2021-04-08 WO claimed
EP-2370434-B1 ISOQUINOLINYL-CONTAINING ALKALOID COMPOUNDS AND COMPOSITIONS USEFUL FOR REDUCING LIPID LEVELS CVI PHARMACEUTICALS LTD (KY) 2014-09-17 EP claimed
CN-116847840-A Polymorphs of crystalline forms of 3, 10-dimethoxy-5, 8,13 a-tetrahydro-6H-isoquinolino [3,2-a ] isoquinolin-9-yl 3-fluorobenzenesulfonate and salts thereof 扬子江药业集团有限公司 2023-10-03 CN disclosed
CN-116847840-A Polymorphs of crystalline forms of 3, 10-dimethoxy-5, 8,13 a-tetrahydro-6H-isoquinolino [3,2-a ] isoquinolin-9-yl 3-fluorobenzenesulfonate and salts thereof 扬子江药业集团有限公司 2023-10-03 CN disclosed
US-20230279002-A1 Polymorphs of Crystalline Forms of 3,10-dimethoxy-5,8,13,13a-tetrahydro-6H-isoquinolino[3,2-a]isoquinolin-9-yl 3-fluorobenzenesulfonate and Salts Thereof CVI PHARMACEUTICALS LIMITED (KY) 2023-09-07 US disclosed
US-20230279002-A1 Polymorphs of Crystalline Forms of 3,10-dimethoxy-5,8,13,13a-tetrahydro-6H-isoquinolino[3,2-a]isoquinolin-9-yl 3-fluorobenzenesulfonate and Salts Thereof CVI PHARMACEUTICALS LIMITED (KY) 2023-09-07 US disclosed
US-20230279002-A1 Polymorphs of Crystalline Forms of 3,10-dimethoxy-5,8,13,13a-tetrahydro-6H-isoquinolino[3,2-a]isoquinolin-9-yl 3-fluorobenzenesulfonate and Salts Thereof CVI PHARMACEUTICALS LIMITED (KY) 2023-09-07 US disclosed
US-20230279002-A1 Polymorphs of Crystalline Forms of 3,10-dimethoxy-5,8,13,13a-tetrahydro-6H-isoquinolino[3,2-a]isoquinolin-9-yl 3-fluorobenzenesulfonate and Salts Thereof CVI PHARMACEUTICALS LIMITED (KY) 2023-09-07 US disclosed
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 (4 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 DRD1 4873/4885DRD2 4863/4885DRD3 4832/4885
US-20220387403-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR TREATING NASH, NAFLD, AND OBESITY LIPC, FABP1, CPT1A DRD1 4727/4885DRD2 4557/4885DRD3 4182/4885
US-20230279002-A1 Polymorphs of Crystalline Forms of 3,10-dimethoxy-5,8,13,13a-tetrahydro-6H-isoquinolino[3,2-a]isoquinolin-9-yl 3-fluorobenzenesulfonate and Salts Thereof GYS2, APOB, LSS DRD1 4616/4885DRD2 4531/4885DRD3 3663/4885
US-20120004223-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR REDUCING LIPID LEVELS LIPC, LDLR, PCSK9 DRD1 4858/4885DRD2 4824/4885DRD3 4783/4885

“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.