SCHEMBL715461

SCHEMBL715461

NCCCN(CCCN)CCCCCCN(CCCN)CCCN

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.50
DNM1 Q05193 3/20 0.47
CA12 O43570 2/20 0.47
CA1 P00915 2/20 0.47
CA2 P00918 2/20 0.47
CA3 P07451 2/20 0.47
CA4 P22748 2/20 0.47
CA6 P23280 2/20 0.47
CA5A P35218 2/20 0.47
CA7 P43166 2/20 0.47
CA9 Q16790 2/20 0.47
CA14 Q9ULX7 2/20 0.47
CA5B Q9Y2D0 2/20 0.47
LMNA P02545 1/20 0.47
TSHR P16473 1/20 0.47
BLM P54132 1/20 0.47
LCK P06239 1/20 0.40
NFKB1 P19838 1/20 0.40

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
SCHEMBL15591978 1.00 CHRM2 (0.50) CHRM2DNM1CA12CA1CA2
SCHEMBL2403123 1.00 CHRM2 (0.50) CHRM2DNM1CA12CA1CA2
SCHEMBL711967 1.00 CHRM2 (0.50) CHRM2DNM1CA12CA1CA2
SCHEMBL13748874 1.00 CHRM2 (0.50) CHRM2DNM1CA12CA1CA2
SCHEMBL15591996 1.00 CHRM2 (0.50) CHRM2DNM1CA12CA1CA2
SCHEMBL2402964 1.00 CHRM2 (0.50) CHRM2DNM1CA12CA1CA2
SCHEMBL13748877 0.97 CHRM2 (0.48) CHRM2DNM1CA12CA1CA2
SCHEMBL817873 0.97 CHRM2 (0.55) CHRM2DNM1CA12CA1CA2
SCHEMBL15591989 0.97 CHRM2 (0.48) CHRM2DNM1CA12CA1CA2
SCHEMBL560600 0.97 CHRM2 (0.55) CHRM2DNM1CA12CA1CA2

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-0790976-B1 PROCESS FOR PREPARING AMINES FROM COMPOUNDS WITH AT LEAST 3 CYANO GROUPS BASF AG (DE) 1999-04-21 EP claimed
US-5750788-A Preparation of amines from compounds having at least 3 cyano groups BASF AKTIENGESELLSCHAFT (DE) 1998-05-12 US claimed
US-20150239824-A1 BRANCHED OR MACROCYCLIC POLYAMINES AND USES THEREOF UNIVERSITE DE STRASBOURG (FR) 2015-08-27 US disclosed
US-20150239824-A1 BRANCHED OR MACROCYCLIC POLYAMINES AND USES THEREOF UNIVERSITE DE STRASBOURG (FR) 2015-08-27 US disclosed
WO-2014029888-A2 BRANCHED OR MACROCYCLIC POLYAMINES AND USES THEREOF UNIVERSITE DE STRASBOURG (FR) 2014-02-27 WO disclosed
US-8354529-B2 Polyamine derivative and polyol derivative BASF SE (DE) 2013-01-15 US disclosed
EP-2511274-A2 Polyamine derivative BASF SE (DE) 2012-10-17 EP disclosed
EP-2484677-A1 Polyamine derivative BASF SE (DE) 2012-08-08 EP disclosed
US-20120053270-A1 POLYAMINE DERIVATIVE AND POLYOL DERIVATIVE MITA NARUYOSHI (JP) 2012-03-01 US disclosed
US-8076478-B2 Stabilizer; photostability, heat resistance, ozone resistance, oxidation resistance, electromagnetic resistance BASF SE (DE) 2011-12-13 US disclosed
US-20080230743-A1 Polyamine Derivative and Polyol Derivative CIBA CORPORATION 2008-09-25 US disclosed
EP-1840127-A1 POLYAMINE DERIVATIVE AND POLYOL DERIVATIVE Ciba Specialty Chemicals Holding Inc. (CH) 2007-10-03 EP disclosed
US-6777530-B1 CROSSLINKED OLIGO- AND POLYAMINES AS SOIL RELEASE AGENTS AND ENZYME STABILIZERS IN DETERGENTS AND CLEANERS BASF AKTIENGESELLSCHAFT (DE) 2004-08-17 US disclosed
US-6331519-B1 MIXING POLYETHYLENIMINE FORMED BY PARTIAL HYDROLYSIS OF OLIGO/POLYVINYLFORMAMIDES WITH DI- OR POLYCARBOXYLIC ACID OR SALT; COLOR TEXTILES, COTTON BASF AKTIENGESELLSCHAFT (DE) 2001-12-18 US disclosed
US-6300305-B1 BOOSTING DETERGENTS BY MIXING WITH AMINES FOR FABRICS BASF AKTIENGESELLSCHAFT (DE) 2001-10-09 US disclosed
US-6180590-B1 USE OF A CYCLOPOLYAMINE AS DETERGENCY BOOSTER, PREFERABLY IN TEXTILE DETERGENTS, ESPECIALLY IN COLOR DETERGENTS BASF AKTIENGESELLSCHAFT (DE) 2001-01-30 US disclosed
US-6083898-A Water-soluble or water-dispersible cross-linked nitrogenated compounds in washing and cleaning agents BASF AKTIENGESELLSCHAFT (DE) 2000-07-04 US disclosed
US-5750788-A Preparation of amines from compounds having at least 3 cyano groups BASF AKTIENGESELLSCHAFT (DE) 1998-05-12 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 (3 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-20120053270-A1 POLYAMINE DERIVATIVE AND POLYOL DERIVATIVE H1-0, H1-3, NPM1 CHRM2 620/4885DNM1 2476/4885CA12 4560/4885
US-20150239824-A1 BRANCHED OR MACROCYCLIC POLYAMINES AND USES THEREOF SRM, SMS, PNMT CHRM2 3949/4885DNM1 512/4885CA12 4212/4885
US-20080230743-A1 Polyamine Derivative and Polyol Derivative H1-0, H1-3, H1-2 CHRM2 313/4885DNM1 1888/4885CA12 4609/4885

“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.