SCHEMBL2742673

SCHEMBL2742673

COc1ccc2c(c1OC)CN1CCc3cc(O)c(C)cc3[C@H]1C2

nearest known ligand 0.85

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DRD1 P21728 16/20 0.85
DRD2 P14416 13/20 0.85
F3 P13726 5/20 0.85
DRD3 P35462 9/20 0.84
DRD5 P21918 6/20 0.84
SIGMAR1 Q99720 4/20 0.80
DRD4 P21917 3/20 0.80
CYP3A4 P08684 2/20 0.76
LMNA P02545 2/20 0.74
TSHR P16473 1/20 0.74
ADRA1A P35348 2/20 0.73
ADRA1D P25100 1/20 0.73
ADRA1B P35368 1/20 0.73
HTR1A P08908 1/20 0.71
CYP1A2 P05177 1/20 0.67
CYP2D6 P10635 1/20 0.67
CYP2C19 P33261 1/20 0.67

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
SCHEMBL13960236 1.00 DRD1 (0.85) DRD1DRD2F3DRD3DRD5
SCHEMBL18860957 0.96 DRD1 (0.85) DRD1DRD2F3DRD3DRD5
SCHEMBL13334113 0.92 DRD1 (1.00) DRD1DRD2F3DRD3DRD5
SCHEMBL231003 0.91 DRD1 (1.00) DRD1DRD2F3DRD3DRD5
SCHEMBL21192511 0.91 DRD1 (1.00) DRD1DRD2F3DRD3DRD5
SCHEMBL29999180 0.91 DRD1 (1.00) DRD1DRD2F3DRD3DRD5
SCHEMBL2742469 0.91 DRD1 (1.00) DRD1DRD2F3DRD3DRD5
Hydrochloric Acid SCHEMBL3321082 0.91 DRD1 (0.98) DRD1DRD2F3DRD3DRD5
SCHEMBL2742672 0.91 DRD1 (0.82) DRD1DRD2F3DRD3DRD5
SCHEMBL12630242 0.91 DRD1 (0.82) DRD1DRD2F3DRD3DRD5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8815900-B2 Compounds and compositions for reducing lipid levels CVI PHARMACEUTICALS LIMITED (KY) 2014-08-26 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-20110269754-A1 COMPOUNDS AND COMPOSITIONS FOR REDUCING LIPID LEVELS CVI PHARMACEUTICALS LIMITED (KY) 2011-11-03 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

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 4863/4885F3 1777/4885
US-20120004223-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR REDUCING LIPID LEVELS LIPC, LDLR, PCSK9 DRD1 4858/4885DRD2 4824/4885F3 2027/4885
US-20110269754-A1 COMPOUNDS AND COMPOSITIONS FOR REDUCING LIPID LEVELS LIPC, LIPE, BCHE DRD1 465/4885DRD2 139/4885F3 2828/4885

“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.