SCHEMBL4983161

SCHEMBL4983161

CN1CCCCCCN(C)N1C.[Mn]

nearest known ligand 0.41

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.32
MGLL Q99685 1/20 0.30

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
SCHEMBL1351072 0.96 HRH3 (0.33) HRH3MGLL
SCHEMBL8432760 0.96 HRH3 (0.33) HRH3MGLL
Hydrochloric Acid SCHEMBL8858877 0.90 HRH3 (0.30) HRH3
Hydrochloric Acid SCHEMBL8858875 0.90 HRH3 (0.30) HRH3
SCHEMBL9847493 0.89 HRH3 (0.33) HRH3MGLL
SCHEMBL6742985 0.89 HRH3 (0.33) HRH3MGLL
SCHEMBL8584337 0.85
SCHEMBL17354721 0.81 HRH3 (0.37) HRH3MGLL
SCHEMBL12360492 0.81 HRH3 (0.37) HRH3MGLL
SCHEMBL21916389 0.81 HRH3 (0.37) HRH3MGLL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080160057-A1 Antimicrobial Construction GAMA HEALTHCARE LIMITED (GB) 2008-07-03 US claimed
WO-2005112647-A2 AN ANTIMICROBIAL COMPOSITION FELLOWS ADRIAN (GB) 2005-12-01 WO claimed
US-20080187601-A1 Polyoxometalate materials, metal-containing materials, and methods of use thereof HILL CRAIG L 2008-08-07 US disclosed
US-20080160057-A1 Antimicrobial Construction GAMA HEALTHCARE LIMITED (GB) 2008-07-03 US disclosed
EP-1755387-A2 AN ANTIMICROBIAL CONSTRUCTION Fellows, Adrian Neville (GB) 2007-02-28 EP disclosed
US-7097858-B2 Polyoxometalate materials, metal-containing materials, and methods of use thereof EMORY UNIVERSITY (US) 2006-08-29 US disclosed
WO-2005112647-A2 AN ANTIMICROBIAL COMPOSITION FELLOWS ADRIAN (GB) 2005-12-01 WO disclosed
WO-2005112631-A2 AN ANTIMICROBIAL CONSTRUCTION FELLOWS ADRIAN (GB) 2005-12-01 WO disclosed
US-20040185078-A1 Methods for removing a contaminant by a polyoxometalate-modified fabric or a polyoxometalate-modified cellulosic fiber and fabrics thereof EMORY UNIVERSITY 2004-09-23 US disclosed
US-20040185116-A1 Polyoxometalate materials, metal-containing materials, and methods of use thereof US ARMY, SECRETARY OF THE ARMY 2004-09-23 US disclosed
EP-1439261-A2 Methods for removing a contaminant by a polyoxometalate-modified fabric a polyoxometalate-modifed cellulosic fiber and fabrics thereof EMORY UNIVERSITY (US) 2004-07-21 EP disclosed
EP-1078121-B1 METHODS FOR REMOVING A CONTAMINANT BY A POLYOXOMETALATE-MODIFIED FABRIC OR A POLYOXOMETALATE-MODIFIED CELLULOSIC FIBER AND FABRICS THEREOF UNIV EMORY (US) 2004-06-23 EP disclosed
US-6723349-B1 MATERIALS THAT CAN REMOVE HIGHLY TOXIC CONTAMINANTS, SUCH AS CHEMICAL WARFARE AGENTS (CWAS), FROM THE ENVIRONMENT CAN ULTIMATELY REDUCE A SOLDIER'S EXPOSURE TO THE AGENT, EXAMPLES OF MATERIALS INCLUDE CREAMS, POWDERS, COATINGS, AND FABRICS EMORY UNIVERSITY 2004-04-20 US disclosed
US-6713076-B1 SELF-DEODORIZING FABRIC, IN THE FORM OF CLOTHING, FURNITURE UPHOLSTERY, CURTAINS, CARPETS, OR PAPER TO REMOVE OR DEGRADE GASEOUS OR LIQUID TOXIC AND/OR MALODOROUS COMPOUNDS IN THE WORK PLACE AND HOME EMORY UNIVERSITY 2004-03-30 US disclosed
US-20030072811-A1 Polyoxometalate materials, metal-containing materials, and methods of use thereof US GOVERNMENT - SECRETARY OF THE ARMY 2003-04-17 US disclosed
US-20030049330-A1 Polyoxometalate materials, metal-containing materials, and methods of use thereof US GOVERNMENT - SECRETARY OF THE ARMY 2003-03-13 US disclosed
EP-1224024-A2 POLYOXOMETALATE MATERIALS, METAL-CONTAINING MATERIALS, AND METHODS OF USE THEREOF Emory University (US) 2002-07-24 EP disclosed
WO-2001034279-A2 POLYOXOMETALATE MATERIALS, METAL-CONTAINING MATERIALS, AND METHODS OF USE THEREOF EMORY UNIVERSITY (US) 2001-05-17 WO disclosed
EP-1078121-A1 METHODS FOR REMOVING A CONTAMINANT BY A POLYOXOMETALATE-MODIFIED FABRIC OR A POLYOXOMETALATE-MODIFIED CELLULOSIC FIBER AND FABRICS THEREOF EMORY UNIVERSITY (US) 2001-02-28 EP disclosed
WO-1999053131-A1 METHODS FOR REMOVING A CONTAMINANT BY A POLYOXOMETALATE-MODIFIED FABRIC OR A POLYOXOMETALATE-MODIFIED CELLULOSIC FIBER AND FABRICS THEREOF EMORY UNIVERSITY (US) 1999-10-21 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-20030049330-A1 Polyoxometalate materials, metal-containing materials, and methods of use thereof PLOD2, PLOD1, PLOD3 HRH3 2265/4885MGLL 2353/4885
US-20030072811-A1 Polyoxometalate materials, metal-containing materials, and methods of use thereof PUF60, PLOD2, PYM1 HRH3 1695/4885MGLL 1790/4885
US-20080187601-A1 Polyoxometalate materials, metal-containing materials, and methods of use thereof PUF60, PYM1, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 HRH3 713/4885MGLL 2263/4885
US-20040185116-A1 Polyoxometalate materials, metal-containing materials, and methods of use thereof PUF60, PLOD2, PYM1 HRH3 1695/4885MGLL 1790/4885
US-20040185078-A1 Methods for removing a contaminant by a polyoxometalate-modified fabric or a polyoxometalate-modified cellulosic fiber and fabrics thereof PLOD1, ALKBH3, FTO HRH3 4696/4885MGLL 395/4885

“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.