SCHEMBL559409

SCHEMBL559409

CCOC(OCC)C(=N)NCc1cc(F)ccc1Br

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 2/20 0.33
BCHE P06276 2/20 0.32
HTR2A P28223 2/20 0.32
EPHX2 P34913 2/20 0.31
PPARG P37231 1/20 0.31
CARM1 Q86X55 2/20 0.31
PRMT6 Q96LA8 1/20 0.31
KMT2A Q03164 4/20 0.31
MEN1 O00255 3/20 0.31
ALDH1A1 P00352 2/20 0.30
MAPT P10636 2/20 0.30
USP2 O75604 1/20 0.30
GAA P10253 1/20 0.30
ALOX15 P16050 1/20 0.30
ALOX12 P18054 1/20 0.30
HSD17B10 Q99714 1/20 0.30
SLC6A4 P31645 1/20 0.30
RIPK1 Q13546 1/20 0.30
POLB P06746 1/20 0.30
PLEC Q15149 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
SCHEMBL26933002 0.89 P2RX7 (0.42) P2RX7EPHX2PPARGCARM1PRMT6
SCHEMBL31426110 0.85 EPHX2 (0.33) EPHX2KMT2AALDH1A1MAPTRIPK1
SCHEMBL2548882 0.84 DDR1 (0.38) EPHX2GAA
SCHEMBL2554327 0.80 RIPK1 (0.48) P2RX7EPHX2KMT2AMEN1ALDH1A1
SCHEMBL21634929 0.80 CARM1 (0.35) PPARGCARM1PRMT6KMT2AMEN1
SCHEMBL30637860 0.78 RIPK1 (0.35) P2RX7HTR2AEPHX2KMT2ARIPK1
SCHEMBL26679795 0.78 RIPK1 (0.35) P2RX7HTR2AEPHX2KMT2ARIPK1
SCHEMBL2555265 0.76 KDM1A (0.31) KMT2AMEN1
SCHEMBL2206871 0.75 ALDH1A1 (0.38) P2RX7BCHEHTR2AKMT2AMEN1
SCHEMBL558992 0.75 RAB9A (0.44) EPHX2POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-20150342935-A1 QUINUCLIDINE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS BRISTOL MYERS SQUIBB CO (US) 2015-12-03 US disclosed
US-20150342935-A1 QUINUCLIDINE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS BRISTOL MYERS SQUIBB CO (US) 2015-12-03 US disclosed
US-20150094309-A1 QUINUCLIDINE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS BRISTOL MYERS SQUIBB CO (US) 2015-04-02 US disclosed
US-20150094309-A1 QUINUCLIDINE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS BRISTOL MYERS SQUIBB CO (US) 2015-04-02 US disclosed
US-8889676-B2 3-ureidoisoquinolin-8-yl derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2014-11-18 US disclosed
EP-2552893-B1 ANTIBACTERIAL ISOQUINOLIN-3-YLUREA DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2014-10-29 EP disclosed
US-20140221377-A1 Quinuclidine Compounds as Alpha-7 Nicotinic Acetylcholine Receptor Ligands BRISTOL MYERS SQUIBB CO (US) 2014-08-07 US disclosed
US-20140221377-A1 Quinuclidine Compounds as Alpha-7 Nicotinic Acetylcholine Receptor Ligands BRISTOL MYERS SQUIBB CO (US) 2014-08-07 US disclosed
US-20120035178-A1 Quinuclidine Compounds as Alpha-7 Nicotinic Acetylcholine Receptor Ligands BRISTOL-MYERS SQUIBB COMPANY 2012-02-09 US disclosed
US-20120035178-A1 Quinuclidine Compounds as Alpha-7 Nicotinic Acetylcholine Receptor Ligands BRISTOL-MYERS SQUIBB COMPANY 2012-02-09 US disclosed
US-20120035189-A1 Quinuclidine Compounds as Alpha-7 Nicotinic Acetylcholine Receptor Ligands BRISTOL-MYERS SQUIBB COMPANY 2012-02-09 US disclosed
US-20120035189-A1 Quinuclidine Compounds as Alpha-7 Nicotinic Acetylcholine Receptor Ligands BRISTOL-MYERS SQUIBB COMPANY 2012-02-09 US disclosed
WO-2011121555-A1 ANTIBACTERIAL ISOQUINOLIN-3-YLUREA DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2011-10-06 WO disclosed
WO-2011053292-A1 QUINUCLIDINE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS BRISTOL-MYERS SQUIBB COMPANY (US) 2011-05-05 WO disclosed
WO-2011053292-A1 QUINUCLIDINE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS BRISTOL-MYERS SQUIBB COMPANY (US) 2011-05-05 WO 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (7 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 P2RX7 105/4885BCHE 84/4885HTR2A 209/4885
US-20120035189-A1 Quinuclidine Compounds as Alpha-7 Nicotinic Acetylcholine Receptor Ligands CHRNA7, CHRNA5, CHRNA6 P2RX7 105/4885BCHE 84/4885HTR2A 209/4885
US-20120035178-A1 Quinuclidine Compounds as Alpha-7 Nicotinic Acetylcholine Receptor Ligands CHRNA7, CHRNA5, CHRNA6 P2RX7 105/4885BCHE 84/4885HTR2A 209/4885
US-20140221377-A1 Quinuclidine Compounds as Alpha-7 Nicotinic Acetylcholine Receptor Ligands CHRNA7, CHRNA5, CHRNA6 P2RX7 105/4885BCHE 84/4885HTR2A 209/4885
US-20160101104-A1 QUINUCLIDINE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS CHRNA7, CHRNA5, CHRNA6 P2RX7 105/4885BCHE 84/4885HTR2A 209/4885
US-20150342935-A1 QUINUCLIDINE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS CHRNA7, CHRNA5, CHRNA6 P2RX7 105/4885BCHE 84/4885HTR2A 209/4885
US-20150094309-A1 QUINUCLIDINE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS CHRNA7, CHRNA5, CHRNA6 P2RX7 105/4885BCHE 84/4885HTR2A 209/4885

“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.