SCHEMBL558400

SCHEMBL558400

Nc1cc(OC2CCCC2)ncn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOX P28300 1/20 0.47
LOXL2 Q9Y4K0 1/20 0.47
S1PR1 P21453 3/20 0.44
JAK3 P52333 2/20 0.40
PDGFRB P09619 2/20 0.40
PDGFRA P16234 2/20 0.40
ALOX5AP P20292 2/20 0.38
FEN1 P39748 2/20 0.38
MCHR1 Q99705 2/20 0.36
NAE1 Q13564 1/20 0.34
UBA3 Q8TBC4 1/20 0.34
JAK2 O60674 1/20 0.34
JAK1 P23458 1/20 0.34
CA2 P00918 1/20 0.33
CHKA P35790 1/20 0.33
GRIN2D O15399 1/20 0.33
GRIN3B O60391 1/20 0.33
GRIN1 Q05586 1/20 0.33
GRIN2A Q12879 1/20 0.33
GRIN2B Q13224 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
SCHEMBL16290592 0.96 LOX (0.44) LOXLOXL2S1PR1JAK3PDGFRB
SCHEMBL38664609 0.92 LOX (0.39) LOXLOXL2S1PR1JAK3PDGFRB
SCHEMBL14881863 0.78 AKT1 (0.39) ACACB
SCHEMBL14896647 0.78 AKT1 (0.39) ACACB
SCHEMBL14881861 0.78 AKT1 (0.39) ACACB
SCHEMBL15933154 0.78 S1PR1 (0.45) LOXLOXL2S1PR1JAK3PDGFRB
SCHEMBL557714 0.78 S1PR1 (0.50) LOXLOXL2S1PR1JAK3PDGFRB
SCHEMBL15114927 0.76 S1PR1 (0.47) LOXLOXL2S1PR1JAK3PDGFRB
SCHEMBL5399844 0.76 S1PR1 (0.52) LOXLOXL2S1PR1JAK3PDGFRB
SCHEMBL5405665 0.76 S1PR1 (0.52) LOXLOXL2S1PR1JAK3PDGFRB

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 57 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3323414-A1 INHIBITORS OF NEDD8-ACTIVATING ENZYME Millennium Pharmaceuticals, Inc. (US) 2018-05-23 EP disclosed
US-9458152-B2 Bicyclic sulfonamide compounds as sodium channel inhibitors AMGEN INC. (US) 2016-10-04 US disclosed
US-9458152-B2 Bicyclic sulfonamide compounds as sodium channel inhibitors AMGEN INC. (US) 2016-10-04 US disclosed
US-9458152-B2 Bicyclic sulfonamide compounds as sodium channel inhibitors AMGEN INC. (US) 2016-10-04 US disclosed
EP-3008057-A1 BICYCLIC SULFONAMIDE COMPOUNDS AS SODIUM CHANNEL INHIBITORS Amgen Inc. (US) 2016-04-20 EP disclosed
US-20160101104-A1 QUINUCLIDINE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS BRISTOL MYERS SQUIBB CO (US) 2016-04-14 US disclosed
US-20160101104-A1 QUINUCLIDINE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS BRISTOL MYERS SQUIBB CO (US) 2016-04-14 US disclosed
US-20160101104-A1 QUINUCLIDINE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS BRISTOL MYERS SQUIBB CO (US) 2016-04-14 US disclosed
US-20160046626-A1 BICYCLIC SULFONAMIDE COMPOUNDS AS SODIUM CHANNEL INHIBITORS AMGEN INC. 2016-02-18 US disclosed
US-9212182-B2 Bicyclic sulfonamide compounds as sodium channel inhibitors AMGEN INC. (US) 2015-12-15 US disclosed
US-7863291-B2 Quinuclidine compounds as alpha-7 nicotinic acetylcholine receptor ligands BRISTOL-MYERS SQUIBB COMPANY (US) 2011-01-04 US disclosed
US-7863291-B2 Quinuclidine compounds as alpha-7 nicotinic acetylcholine receptor ligands BRISTOL-MYERS SQUIBB COMPANY (US) 2011-01-04 US disclosed
US-20100099684-A1 Quinuclidine Compounds as Alpha-7 Nicotinic Acetylcholine Receptor Ligands BRISTOL-MYERS SQUIBB COMPANY 2010-04-22 US disclosed
US-20100099684-A1 Quinuclidine Compounds as Alpha-7 Nicotinic Acetylcholine Receptor Ligands BRISTOL-MYERS SQUIBB COMPANY 2010-04-22 US disclosed
US-20100099684-A1 Quinuclidine Compounds as Alpha-7 Nicotinic Acetylcholine Receptor Ligands BRISTOL-MYERS SQUIBB COMPANY 2010-04-22 US disclosed
US-20090270405-A1 QUINUCLIDINE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS BRISTOL-MYERS SQUIBB COMPANY 2009-10-29 US disclosed
US-20090270405-A1 QUINUCLIDINE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS BRISTOL-MYERS SQUIBB COMPANY 2009-10-29 US disclosed
US-20090270405-A1 QUINUCLIDINE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS BRISTOL-MYERS SQUIBB COMPANY 2009-10-29 US disclosed
WO-2009131926-A1 QUINUCLIDINE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS BRISTOL-MYERS SQUIBB COMPANY (US) 2009-10-29 WO disclosed
WO-2009131926-A1 QUINUCLIDINE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS BRISTOL-MYERS SQUIBB COMPANY (US) 2009-10-29 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-20100099684-A1 Quinuclidine Compounds as Alpha-7 Nicotinic Acetylcholine Receptor Ligands CHRNA7, CHRNA5, CHRNA6 LOX 2012/4885LOXL2 4093/4885S1PR1 2326/4885
US-20090270405-A1 QUINUCLIDINE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS CHRNA7, CHRNA5, CHRNA6 LOX 2012/4885LOXL2 4093/4885S1PR1 2326/4885
US-20160046626-A1 BICYCLIC SULFONAMIDE COMPOUNDS AS SODIUM CHANNEL INHIBITORS SCN7A, TRPV1, TRPV5 LOX 4792/4885LOXL2 4745/4885S1PR1 683/4885
US-20160101104-A1 QUINUCLIDINE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS CHRNA7, CHRNA5, CHRNA6 LOX 2012/4885LOXL2 4093/4885S1PR1 2326/4885

“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.