SCHEMBL2399728

SCHEMBL2399728

Cn1ccnc1CCCCCCc1nccn1C

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FDPS P14324 1/20 0.44
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
LPO P22079 1/20 0.43
FNTA P49354 1/20 0.40
FNTB P49356 1/20 0.40
DRD4 P21917 1/20 0.37
CNR2 P34972 1/20 0.36
TSHR P16473 1/20 0.36
OPRK1 P41145 1/20 0.36
ALDH1A1 P00352 1/20 0.35
POLB P06746 1/20 0.35
HTT P42858 1/20 0.35
TRPM5 Q9NZQ8 1/20 0.35
TLR8 Q9NR97 1/20 0.33
TLR7 Q9NYK1 1/20 0.33
NAMPT P43490 1/20 0.33

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
SCHEMBL2395476 1.00 FDPS (0.44) FDPSKMT2AMEN1LPOFNTA
SCHEMBL2393253 1.00 FDPS (0.44) FDPSKMT2AMEN1LPOFNTA
SCHEMBL7152443 1.00 FDPS (0.44) FDPSKMT2AMEN1LPOFNTA
SCHEMBL7166348 0.98 FDPS (0.46) FDPSKMT2AMEN1LPOFNTA
Water SCHEMBL29120398 0.95 FDPS (0.44) FDPSKMT2AMEN1LPOFNTA
SCHEMBL2398203 0.93 FDPS (0.46) FDPSKMT2AMEN1LPOFNTA
SCHEMBL301893 0.92 TLR8 (0.44) FDPSKMT2AMEN1LPOFNTA
SCHEMBL1898631 0.92 TLR8 (0.44) FDPSKMT2AMEN1LPOFNTA
SCHEMBL4240295 0.92 TLR8 (0.44) FDPSKMT2AMEN1LPOFNTA
SCHEMBL2229133 0.92 TLR8 (0.44) FDPSKMT2AMEN1LPOFNTA

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
EP-3272740-A2 HIGH STABILITY DIIONIC LIQUID SALTS Sigma-Aldrich Co. LLC (US) 2018-01-24 EP disclosed
US-9782746-B2 Polymeric ionic liquids, methods of making and methods of use thereof THE UNIVERSITY OF TOLEDO (US) 2017-10-10 US disclosed
US-20160114309-A1 Polymeric Ionic Liquids, Methods of Making and Methods of Use Thereof THE UNIVERSITY OF TOLEDO (US) 2016-04-28 US disclosed
US-9249261-B2 Polymeric ionic liquids, methods of making and methods of use thereof THE UNIVERSITY OF TOLEDO (US) 2016-02-02 US disclosed
US-8956445-B2 High stability diionic liquid salts SIGMA-ALDRICH CO. (US) 2015-02-17 US disclosed
US-8734673-B2 Boron selective ionic liquids and polymeric ionic liquids, methods of making and methods of use thereof THE UNIVERSITY OF TOLEDO (US) 2014-05-27 US disclosed
US-20140121387-A1 High Stability Diionic Liquid Salts SIGMA-ALDRICH CO. LLC (US) 2014-05-01 US disclosed
EP-2682396-A1 High stability diionic liquid salts Sigma-Aldrich Co. (US) 2014-01-08 EP disclosed
US-20120215005-A1 High Stability Diionic Liquid Salts SIGMA-ALDRICH CO. LLC (US) 2012-08-23 US disclosed
US-20120211696-A1 HIGH STABILITY DIIONIC LIQUID SALTS SIGMA-ALDRICH CO. LLC (US) 2012-08-23 US disclosed
US-8182581-B2 use of these novel bis-cationic and/or bis-anionic ionic liquids as the stationary phase in a gas chromatographic column SIGMA-ALDRICH CO. LLC (US) 2012-05-22 US disclosed
US-20120111796-A1 Boron Selective Ionic Liquids and Polymeric Ionic Liquids, Methods of Making and Methods of Use Thereof UNIVERSITY OF TOLEDO (US) 2012-05-10 US disclosed
US-8168830-B2 use of these novel ionic liquids having bis-cation or bis-anion separated by bridging group as the stationary phase in a gas chromatographic column SIGMA-ALDRICH CO. LLC (US) 2012-05-01 US disclosed
US-20110236295-A1 Polymeric Ionic Liquids, Methods of Making and Methods of Use Thereof UNIVERSITY OF TOLEDO (US) 2011-09-29 US disclosed
WO-2010017564-A1 BORON SELECTIVE IONIC LIQUIDS AND POLYMERIC IONIC LIQUIDS, METHODS OF MAKING AND METHODS OF USE THEREOF UNIVERSITY OF TOLEDO (US) 2010-02-11 WO disclosed
WO-2010017563-A1 POLYMERIC IONIC LIQUIDS, METHODS OF MAKING AND METHODS OF USE THEREOF UNIVERSITY OF TOLEDO (US) 2010-02-11 WO disclosed
US-20080027231-A1 High stability diionic liquid salts SIGMA-ALDRICH CO. (US) 2008-01-31 US disclosed
US-20060025598-A1 High stability diionic liquid salts ADVANCED SEPARATION TECHNOLOGIES INC. (US) 2006-02-02 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 (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-20080027231-A1 High stability diionic liquid salts H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, HDHD5, DAD1 FDPS 546/4885KMT2A 3995/4885MEN1 3166/4885
US-20060025598-A1 High stability diionic liquid salts H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, DCLK2, HDHD5 FDPS 577/4885KMT2A 3946/4885MEN1 3052/4885
US-20120111796-A1 Boron Selective Ionic Liquids and Polymeric Ionic Liquids, Methods of Making and Methods of Use Thereof BCCIP, SLC6A12, BOLA2; BOLA2B FDPS 2938/4885KMT2A 3451/4885MEN1 1196/4885
US-20140121387-A1 High Stability Diionic Liquid Salts H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, DCLK2, HDHD5 FDPS 577/4885KMT2A 3946/4885MEN1 3052/4885
US-20120215005-A1 High Stability Diionic Liquid Salts H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, DCLK2, HDHD5 FDPS 577/4885KMT2A 3946/4885MEN1 3052/4885

“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.