SCHEMBL108087

SCHEMBL108087

c1cc2c(cc1CCc1ccc3c(c1)OCO3)OCO2

nearest known ligand 0.77

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.77
CALM1 P0DP23 3/20 0.70
CYP3A4 P08684 4/20 0.62
SLC6A4 P31645 2/20 0.62
CYP1A2 P05177 2/20 0.62
MAPT P10636 1/20 0.62
SLC6A2 P23975 1/20 0.58
SLC6A3 Q01959 1/20 0.58
CMA1 P23946 1/20 0.58
CYP2D6 P10635 1/20 0.58
ALDH1A1 P00352 2/20 0.56
GAA P10253 1/20 0.56
CYP2C19 P33261 1/20 0.56
MIF P14174 1/20 0.56

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
SCHEMBL108050 0.91 CALM1 (0.72) TAAR1CALM1CYP3A4SLC6A4CYP1A2
SCHEMBL834910 0.87 TAAR1 (0.67) TAAR1CALM1CYP3A4SLC6A4CYP1A2
SCHEMBL429483 0.87 TAAR1 (0.67) TAAR1CALM1CYP3A4SLC6A4CYP1A2
SCHEMBL29633110 0.87 TAAR1 (1.00) TAAR1CALM1CYP3A4SLC6A4CYP1A2
SCHEMBL16399861 0.87 TAAR1 (0.67) TAAR1CALM1CYP3A4SLC6A4CYP1A2
SCHEMBL273041 0.87 TAAR1 (0.67) TAAR1CALM1CYP3A4SLC6A4CYP1A2
SCHEMBL9146771 0.87 TAAR1 (0.67) TAAR1CALM1CYP3A4SLC6A4CYP1A2
SCHEMBL1042580 0.87 TAAR1 (0.67) TAAR1CALM1CYP3A4SLC6A4CYP1A2
SCHEMBL5807082 0.87 TAAR1 (0.67) TAAR1CALM1CYP3A4SLC6A4CYP1A2
SCHEMBL29644736 0.87 TAAR1 (0.67) TAAR1CALM1CYP3A4SLC6A4CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9051253-B2 Compounds, compositions and methods for the treatment of amyloid diseases and synucleinopathies such as alzheimer's disease, type 2 diabetes, and parkinson's PROTEOTECH INC. (US) 2015-06-09 US disclosed
US-9051253-B2 Compounds, compositions and methods for the treatment of amyloid diseases and synucleinopathies such as alzheimer's disease, type 2 diabetes, and parkinson's PROTEOTECH INC. (US) 2015-06-09 US disclosed
US-8895554-B2 Compounds, compositions and methods for the treatment of amyloid diseases and synucleinopathies such as Alzheimer's disease, type 2 diabetes, and Parkinson's disease PROTEOTECH INC (US) 2014-11-25 US disclosed
US-8895554-B2 Compounds, compositions and methods for the treatment of amyloid diseases and synucleinopathies such as Alzheimer's disease, type 2 diabetes, and Parkinson's disease PROTEOTECH INC (US) 2014-11-25 US disclosed
US-8754133-B2 Compounds, compositions and methods for the treatment of inflammatory diseases PROTEOTECH, INC. (US) 2014-06-17 US disclosed
US-8754133-B2 Compounds, compositions and methods for the treatment of inflammatory diseases PROTEOTECH, INC. (US) 2014-06-17 US disclosed
EP-2527315-B1 Compounds, compositions and methods for the treatment of amyloid diseases and synucleinopathies such as Alzheimer's disease, type 2 diabetes and Parkinson's disease PROTEOTECH INC (US) 2014-03-19 EP disclosed
US-20140038980-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR THE TREATMENT OF AMYLOID DISEASES AND SYNUCLEINOPATHIES SUCH AS ALZHEIMER'S DISEASE, TYPE 2 DIABETES, AND PARKINSON'S DISEASE PROTAMED, INC. 2014-02-06 US disclosed
US-20140038980-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR THE TREATMENT OF AMYLOID DISEASES AND SYNUCLEINOPATHIES SUCH AS ALZHEIMER'S DISEASE, TYPE 2 DIABETES, AND PARKINSON'S DISEASE PROTAMED, INC. 2014-02-06 US disclosed
US-8586585-B2 Compounds, compositions and methods for the treatment of amyloid diseases and synucleinopathies such as Alzheimer's disease, type 2 diabetes and Parkinson's disease PROTEOTECH, INC. (US) 2013-11-19 US disclosed
WO-2008154083-A2 COMPOUNDS, COMPOSITIONS AND METHODS FOR THE TREATMENT OF SYNUCLEINOPATHIES PROTEO TECH INC. (US) 2008-12-18 WO disclosed
WO-2008097692-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR THE TREATMENT OF INFLAMMATORY DISEASES PROTEOTECH INC. (US) 2008-08-14 WO disclosed
US-20070276034-A1 Compounds, compositions and methods for the treatment of synucleinopathies PROTEOTECH, INC. 2007-11-29 US disclosed
US-20070276034-A1 Compounds, compositions and methods for the treatment of synucleinopathies PROTEOTECH, INC. 2007-11-29 US disclosed
US-20070225362-A1 Compounds, compositions and methods for the treatment of amyloid diseases such as systemic AA amyloidosis PROTAMED, INC. 2007-09-27 US disclosed
US-20070225362-A1 Compounds, compositions and methods for the treatment of amyloid diseases such as systemic AA amyloidosis PROTAMED, INC. 2007-09-27 US disclosed
US-20070208087-A1 Compounds, compositions and methods for the treatment of inflammatory diseases PROTEOTECH INC. 2007-09-06 US disclosed
US-20070208087-A1 Compounds, compositions and methods for the treatment of inflammatory diseases PROTEOTECH INC. 2007-09-06 US disclosed
EP-1480941-A2 UREA DERIVATIVES AS HIV ASPARTYL PROTEASE INHIBITORS Procyon Biopharma Inc. (CA) 2004-12-01 EP disclosed
WO-2003074467-A2 UREA DERIVATIVES AS HIV ASPARTYL PROTEASE INHIBITORS PROCYON BIOPHARMA INC. (CA) 2003-09-12 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-20070208087-A1 Compounds, compositions and methods for the treatment of inflammatory diseases NR1H2, NR1H3, NR1H4 TAAR1 438/4885CALM1 2926/4885CYP3A4 426/4885
US-20070225362-A1 Compounds, compositions and methods for the treatment of amyloid diseases such as systemic AA amyloidosis IAPP, SNCA, APP TAAR1 1303/4885CALM1 2272/4885CYP3A4 911/4885
US-20070276034-A1 Compounds, compositions and methods for the treatment of synucleinopathies SNCA, PARK7, COMT TAAR1 2937/4885CALM1 1900/4885CYP3A4 2096/4885
US-20140038980-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR THE TREATMENT OF AMYLOID DISEASES AND SYNUCLEINOPATHIES SUCH AS ALZHEIMER'S DISEASE, TYPE 2 DIABETES, AND PARKINSON'S DISEASE IAPP, SNCA, APP TAAR1 3130/4885CALM1 1287/4885CYP3A4 2505/4885

“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.