SCHEMBL2742590

SCHEMBL2742590

COc1cc2c(cc1OCc1ccccc1)C1Cc3ccc(OC)c(OS(=O)(=O)c4ccccc4)c3CN1CC2

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DRD1 P21728 14/20 0.60
DRD2 P14416 11/20 0.60
DRD3 P35462 6/20 0.60
F3 P13726 5/20 0.60
DRD5 P21918 4/20 0.60
SIGMAR1 Q99720 3/20 0.60
CYP3A4 P08684 1/20 0.60
LMNA P02545 1/20 0.59
TSHR P16473 1/20 0.59
ADRA1D P25100 1/20 0.53
ADRA1A P35348 1/20 0.53
ADRA1B P35368 1/20 0.53
HTR1A P08908 1/20 0.53
DRD4 P21917 1/20 0.52

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
SCHEMBL910616 1.00 DRD1 (0.60) DRD1DRD2DRD3F3DRD5
SCHEMBL29999777 1.00 DRD1 (0.60) DRD1DRD2DRD3F3DRD5
SCHEMBL23206810 0.93 DRD1 (0.56) DRD1DRD2DRD3F3DRD5
SCHEMBL910355 0.92 DRD1 (0.70) DRD1DRD2DRD3F3DRD5
SCHEMBL29999932 0.92 DRD1 (0.70) DRD1DRD2DRD3F3DRD5
SCHEMBL910018 0.92 DRD1 (0.62) DRD1DRD2DRD3F3DRD5
SCHEMBL30000502 0.92 DRD1 (0.62) DRD1DRD2DRD3F3DRD5
Hydrochloric Acid SCHEMBL30000488 0.92 LMNA (0.71) DRD1DRD2DRD3F3DRD5
Hydrochloric Acid SCHEMBL910111 0.92 LMNA (0.71) DRD1DRD2DRD3F3DRD5
SCHEMBL2742601 0.90 DRD1 (0.61) DRD1DRD2DRD3F3DRD5

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 9 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
WO-2021067490-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR TREATING NASH, NAFLD, AND OBESITY CVI PHARMACEUTICALS LIMITED (KY) 2021-04-08 WO 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
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 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-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.