SCHEMBL2742584

SCHEMBL2742584

COc1ccc2c(c1OS(=O)(=O)c1ccccc1)CN1CCc3cc4c(cc3C1C2)OCCO4

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F3 P13726 12/20 0.65
DRD1 P21728 8/20 0.65
DRD2 P14416 4/20 0.65
CYP3A4 P08684 3/20 0.65
DRD5 P21918 3/20 0.65
DRD3 P35462 3/20 0.65
LMNA P02545 2/20 0.65
CYP1A2 P05177 2/20 0.65
CYP2D6 P10635 2/20 0.65
CYP2C19 P33261 2/20 0.65
DRD4 P21917 2/20 0.65
ADRA1A P35348 1/20 0.65
MEN1 O00255 1/20 0.65
KMT2A Q03164 1/20 0.65
HTR1A P08908 3/20 0.61
HTR2A P28223 1/20 0.61
SIGMAR1 Q99720 1/20 0.56
TSHR P16473 1/20 0.55
ALOX15 P16050 1/20 0.54
HIF1A Q16665 1/20 0.54

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
SCHEMBL910915 0.95 F3 (0.73) F3DRD1DRD2CYP3A4DRD5
SCHEMBL29999649 0.95 F3 (0.73) F3DRD1DRD2CYP3A4DRD5
Hydrochloric Acid SCHEMBL910372 0.94 F3 (0.72) F3DRD1DRD2CYP3A4DRD5
Hydrochloric Acid SCHEMBL29999778 0.94 F3 (0.72) F3DRD1DRD2CYP3A4DRD5
SCHEMBL2742597 0.91 F3 (0.60) F3DRD1DRD2CYP3A4DRD5
SCHEMBL2742635 0.90 F3 (0.69) F3DRD1DRD2CYP3A4DRD5
SCHEMBL29999932 0.89 DRD1 (0.70) F3DRD1DRD2CYP3A4DRD5
SCHEMBL910355 0.89 DRD1 (0.70) F3DRD1DRD2CYP3A4DRD5
Hydrochloric Acid SCHEMBL30000488 0.88 LMNA (0.71) F3DRD1DRD2CYP3A4DRD5
Hydrochloric Acid SCHEMBL910111 0.88 LMNA (0.71) F3DRD1DRD2CYP3A4DRD5

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 8 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-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 F3 1777/4885DRD1 4873/4885DRD2 4863/4885
US-20220387403-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR TREATING NASH, NAFLD, AND OBESITY LIPC, FABP1, CPT1A F3 1928/4885DRD1 4727/4885DRD2 4557/4885
US-20120004223-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR REDUCING LIPID LEVELS LIPC, LDLR, PCSK9 F3 2027/4885DRD1 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.