SCHEMBL108372

SCHEMBL108372

c1cc2c(cc1CN(Cc1ccc3c(c1)OCO3)Cc1ccc3c(c1)OCO3)OCO2

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.58
CYP3A4 P08684 4/20 0.56
SLC6A4 P31645 3/20 0.56
CYP1A2 P05177 2/20 0.56
MAPT P10636 1/20 0.56
TSHR P16473 1/20 0.54
SLC6A2 P23975 2/20 0.53
SLC6A3 Q01959 2/20 0.53
CYP2D6 P10635 2/20 0.53
CMA1 P23946 1/20 0.53
INSR P06213 1/20 0.53
IGF1R P08069 1/20 0.53
SRC P12931 1/20 0.53
ALDH1A1 P00352 2/20 0.51
GAA P10253 1/20 0.51
CYP2C19 P33261 1/20 0.51
MIF P14174 1/20 0.51
HRH2 P25021 1/20 0.50
CALM1 P0DP23 1/20 0.50

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
SCHEMBL8623598 0.89 TSHR (0.52) TAAR1CYP3A4SLC6A4CYP1A2MAPT
SCHEMBL1740556 0.86 HDAC1 (0.59) TAAR1CYP3A4SLC6A4CYP1A2MAPT
SCHEMBL3360597 0.85 MAOA (0.58) TAAR1SLC6A4TSHRSLC6A2SLC6A3
SCHEMBL189831 0.85 TAAR1 (0.60) TAAR1CYP3A4SLC6A4CYP1A2MAPT
SCHEMBL16312618 0.84 HRH2 (0.55) TAAR1CYP3A4SLC6A4CYP1A2MAPT
SCHEMBL11693746 0.84 HRH2 (0.55) TAAR1CYP3A4SLC6A4CYP1A2MAPT
SCHEMBL15580003 0.83 KCNH2 (0.48) TAAR1SLC6A4SLC6A2SLC6A3
SCHEMBL14417369 0.82 TSHR (0.63) TSHRALDH1A1
SCHEMBL2601968 0.81 HRH2 (0.52) TAAR1CYP3A4SLC6A4CYP1A2MAPT
SCHEMBL109195 0.80 TAAR1 (0.64) TAAR1CYP3A4SLC6A4CYP1A2MAPT

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 74 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-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-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
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-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-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-1511710-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 Proteotech, Inc. (US) 2005-03-09 EP disclosed
US-20040127555-A1 bis- and tris-dihydroxyaryl compounds and their methylenedioxy analogs; treatment of A beta , IAPP, other amyloids, and alpha -synuclein or NAC fibrillogenesis PROTAMED, INC. 2004-07-01 US disclosed
WO-2003101927-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 PROTEOTECH, INC. (US) 2003-12-11 WO disclosed
WO-2003101927-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 PROTEOTECH, INC. (US) 2003-12-11 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 (5 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-20040127555-A1 bis- and tris-dihydroxyaryl compounds and their methylenedioxy analogs; treatment of A beta , IAPP, other amyloids, and alpha -synuclein or NAC fibrillogenesis IAPP, SNCA, IDE TAAR1 2657/4885CYP3A4 3065/4885SLC6A4 2475/4885
US-20070208087-A1 Compounds, compositions and methods for the treatment of inflammatory diseases NR1H2, NR1H3, NR1H4 TAAR1 438/4885CYP3A4 426/4885SLC6A4 4331/4885
US-20070225362-A1 Compounds, compositions and methods for the treatment of amyloid diseases such as systemic AA amyloidosis IAPP, SNCA, APP TAAR1 1303/4885CYP3A4 911/4885SLC6A4 2245/4885
US-20070276034-A1 Compounds, compositions and methods for the treatment of synucleinopathies SNCA, PARK7, COMT TAAR1 2937/4885CYP3A4 2096/4885SLC6A4 1324/4885
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 3130/4885CYP3A4 2505/4885SLC6A4 2869/4885

“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.