SCHEMBL3538833

SCHEMBL3538833

CCN(CC)CCC(N)CN

nearest known ligand 0.44

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PLA2G1B P04054 1/20 0.43
PLA2G2A P14555 1/20 0.43
SIGMAR1 Q99720 1/20 0.32
ALDH1A1 P00352 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
SCHEMBL4078267 0.82 PLA2G1B (0.61) PLA2G1BPLA2G2ASIGMAR1
SCHEMBL6168746 0.79 PLA2G1B (0.52) PLA2G1BPLA2G2AALDH1A1
SCHEMBL10966563 0.78 PLA2G1B (0.42) PLA2G1BPLA2G2ASIGMAR1
SCHEMBL9330368 0.76 PLA2G1B (0.50) PLA2G1BPLA2G2AALDH1A1
SCHEMBL7379244 0.76 PLA2G1B (0.43) PLA2G1BPLA2G2ASIGMAR1
SCHEMBL10796465 0.75 PLA2G1B (0.34) PLA2G1BPLA2G2ASIGMAR1ALDH1A1
SCHEMBL20284332 0.74 OPRM1 (0.42) PLA2G1BPLA2G2ASIGMAR1ALDH1A1
SCHEMBL3715809 0.74 OPRM1 (0.42) PLA2G1BPLA2G2ASIGMAR1ALDH1A1
SCHEMBL15558498 0.74
SCHEMBL7786698 0.74

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101675082-B Resin composition for optical material and optical material obtained from the resin composition MITSUBISHI GAS CHEMICAL CO 2012-04-04 CN disclosed
US-7829566-B2 Such as (7-chloro-2-styryl-quinazolin-4-yl)-(3-imidazol-1-yl-propyl)-amine; glycoprotein antagonist; anticholesterol agents; cardiovascular disorders; strokes; antiischemic agents MEDERSKI WERNER 2010-11-09 US disclosed
US-20090118330-A1 Diurea derivatives ACTIVE BIOTECH AB (SE) 2009-05-07 US disclosed
US-20070293667-A1 4-Amino-quinazolines MEDERSKI WERNER 2007-12-20 US disclosed
WO-2004030671-A2 USE OF 4-AMINO-QUINAZOLINES AS ANTI CANCER AGENTS MERCK PATENT GMBH (DE) 2004-04-15 WO disclosed
US-20040044204-A1 4-amino-quinazolines ORTHO-MCNEIL PHARMACEUTICALS, INC. 2004-03-04 US disclosed
EP-1318985-A2 4-AMINO-QUINAZOLINES MERCK PATENT GmbH (DE) 2003-06-18 EP disclosed
US-20030109699-A1 Amphiphilic quinolylpolyamines as transfer agents for biologically active macromolecules G.O.T. THERAPEUTICS GMBH (DE) 2003-06-12 US disclosed
EP-1244630-A1 AMPHIPHILIC POLYAMINES, THE USE AND METHOD FOR SYNTHESIS THEREOF G.O.T. Gesellschaft für Therapieoptimierung und Targeting Entwicklungs mbH (DE) 2002-10-02 EP disclosed
WO-2002024666-A2 4-AMINO-QUINAZOLINES MERCK PATENT GMBH (DE) 2002-03-28 WO disclosed
WO-2001044198-A1 AMPHIPHILIC QUINOLYLPOLYAMINES AS TRANSFER AGENTS FOR BIOLOGICALLY ACTIVE MACROMOLECULES G.O.T. GESELLSCHAFT FÜR THERAPIEOPTIMIERUNG UND TARGETING ENTWICKLUNGS MBH (DE) 2001-06-21 WO disclosed
US-4206144-A N,N-Dialkyl-N-aminoalkyl-N-(amino or nitro)phenylalkyl- and N-methyl-N-[3-(amino or nitro)phenoxy-2-hydroxy-1-propyl]-N,N-bis(3-aminopropyl)quaternary ammonium salts STERLING DRUG INC. (US) 1980-06-03 US disclosed
US-4146558-A Azo dyestuff intermediate nitro- or aminobenzenes ring-substituted by a quaternized amine alkyl or amino-alkoxy group STERLING DRUG INC. (US) 1979-03-27 US disclosed
US-4103092-A Water-soluble quaternary ammonium non-heterocyclic azo dyestuffs STERLING DRUG INC. (US) 1978-07-25 US disclosed
US-4065500-A Water-soluble quaternary ammonium azo dyestuffs STERLING DRUG INC. (US) 1977-12-27 US disclosed
US-3996282-A Water-soluble quaternary ammonium dyestuffs STERLING DRUG INC. (US) 1976-12-07 US disclosed
US-3935182-A Water-soluble quaternary ammonium heterocyclic azo dyestuffs STERLING DRUG INC. (US) 1976-01-27 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 (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-20040044204-A1 4-amino-quinazolines MRGPRX4, MRGPRX1, MRGPRX2 PLA2G1B 3035/4885PLA2G2A 2338/4885SIGMAR1 26/4885
US-20030109699-A1 Amphiphilic quinolylpolyamines as transfer agents for biologically active macromolecules POLRMT, HNRNPH3, HNRNPLL PLA2G1B 1914/4885PLA2G2A 1227/4885SIGMAR1 1103/4885
US-20090118330-A1 Diurea derivatives IL2, CASP2, MAVS PLA2G1B 3912/4885PLA2G2A 3622/4885SIGMAR1 3068/4885
US-20070293667-A1 4-Amino-quinazolines MRGPRX4, MRGPRX1, MRGPRX2 PLA2G1B 3036/4885PLA2G2A 2299/4885SIGMAR1 24/4885

“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.