SCHEMBL939751

SCHEMBL939751

CN(C)CCOc1cc(B(O)O)ccn1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 2/20 0.42
CHRNB2 P17787 3/20 0.40
CHRNA4 P43681 3/20 0.40
ATR Q13535 1/20 0.37
MAPT P10636 1/20 0.37
HTR6 P50406 1/20 0.36
MAOA P21397 1/20 0.36
WNT1 P04628 1/20 0.36
CLK2 P49760 1/20 0.36
CLK3 P49761 1/20 0.36
GSK3B P49841 1/20 0.36
DYRK1A Q13627 1/20 0.36
TDO2 P48775 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36

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
SCHEMBL29956753 0.78 ACACB (0.37) MAPT
SCHEMBL2066753 0.78 ACACB (0.37) MAPT
SCHEMBL940535 0.77 HTR7 (0.46) HTR7CHRNB2CHRNA4ATRMAPT
SCHEMBL12625 0.77 HTR7 (0.46) HTR7CHRNB2CHRNA4MAPTHTR6
SCHEMBL11578483 0.77 CHRNB2 (0.51) HTR7CHRNB2CHRNA4MAPTMAOA
SCHEMBL25975338 0.76 HTR7 (0.45) HTR7CHRNB2CHRNA4ATRMAPT
SCHEMBL939713 0.76 HTR7 (0.53) HTR7CHRNB2CHRNA4ATRMAPT
SCHEMBL183028 0.74 LOX (0.47) DYRK1A
SCHEMBL15829859 0.74 NOS3 (0.44) HTR7CHRNB2CHRNA4ATRMAPT
SCHEMBL20252444 0.73 HTR7 (0.46) HTR7CHRNB2CHRNA4ATRMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
US-11225655-B2 Bi-functional complexes and methods for making and using such complexes NUEVOLUTION A/S (DK) 2022-01-18 US disclosed
EP-3540059-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES Nuevolution A/S (DK) 2019-09-18 EP disclosed
EP-2558577-B1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION AS (DK) 2018-12-12 EP disclosed
US-9822092-B2 ArylSulfonamide-based matrix metalloprotease inhibitors NOVARTIS AG (CH) 2017-11-21 US disclosed
US-8975439-B2 Arylsulfonamide based matrix metalloprotease inhibitors NOVARTIS AG (CH) 2015-03-10 US disclosed
US-20150045398-A1 ArylSulfonamide-Based Matrix Metalloprotease Inhibitors NOVARTIS AG (CH) 2015-02-12 US disclosed
EP-2268612-B1 ARYLSULFONAMIDE-BASED MATRIX METALLOPROTEASE INHIBITORS NOVARTIS AG (CH) 2014-08-20 EP disclosed
US-20130281324-A1 BI-FUNCTINAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2013-10-24 US disclosed
US-20130096105-A1 ArylSulfonamide Based Matrix Metalloprotease Inhibitors NOVARTIS AG (CH) 2013-04-18 US disclosed
EP-2558577-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES Nuevolution A/S (DK) 2013-02-20 EP disclosed
US-8362063-B2 Arylsulfonamide based matrix metalloprotease inhibitors NOVARTIS AG (CH) 2013-01-29 US disclosed
US-20120258954-A1 ArylSulfonamide Based Matrix Metalloprotease Inhibitors NOVARTIS AG (CH) 2012-10-11 US disclosed
US-8222424-B2 Arylsulfonamide-based matrix metalloprotease inhibitors NOVARTIS AG (CH) 2012-07-17 US disclosed
WO-2011127933-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2011-10-20 WO disclosed
US-20110014186-A1 ARYLSULFONAMIDE-BASED MATRIX METALLOPROTEASE INHIBITORS NOVARTIS AG (CH) 2011-01-20 US disclosed
EP-2268612-A1 ARYLSULFONAMIDE-BASED MATRIX METALLOPROTEASE INHIBITORS Novartis AG (CH) 2011-01-05 EP disclosed
WO-2009118292-A1 ARYLSULFONAMIDE-BASED MATRIX METALLOPROTEASE INHIBITORS NOVARTIS AG (CH) 2009-10-01 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-20110014186-A1 ARYLSULFONAMIDE-BASED MATRIX METALLOPROTEASE INHIBITORS MMP11, MMP10, MMP9 HTR7 860/4885CHRNB2 4554/4885CHRNA4 4817/4885
US-20150045398-A1 ArylSulfonamide-Based Matrix Metalloprotease Inhibitors MMP11, MMP10, MMP9 HTR7 860/4885CHRNB2 4554/4885CHRNA4 4817/4885
US-20120258954-A1 ArylSulfonamide Based Matrix Metalloprotease Inhibitors MMP11, MMP9, MMP10 HTR7 838/4885CHRNB2 4548/4885CHRNA4 4792/4885
US-20130096105-A1 ArylSulfonamide Based Matrix Metalloprotease Inhibitors MMP11, MMP9, MMP10 HTR7 838/4885CHRNB2 4548/4885CHRNA4 4792/4885

“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.