SCHEMBL558992

SCHEMBL558992

CCOC(OCC)C(=N)NCc1cccc(F)c1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.44
MAPK1 P28482 1/20 0.44
PTPN7 P35236 2/20 0.43
DUSP3 P51452 2/20 0.43
ANPEP P15144 1/20 0.43
EPHX2 P34913 1/20 0.43
SRC P12931 1/20 0.42
FFAR1 O14842 1/20 0.41
OPRM1 P35372 2/20 0.40
OPRL1 P41146 1/20 0.40
TAAR1 Q96RJ0 1/20 0.40
PDE10A Q9Y233 1/20 0.39
SCN8A Q9UQD0 1/20 0.39
POLB P06746 1/20 0.39

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
SCHEMBL559497 0.83 APEX1 (0.44) RAB9AFFAR1OPRM1OPRL1
SCHEMBL558857 0.83 LMNA (0.46) TAAR1
SCHEMBL1824023 0.82 PPID (0.45) POLB
SCHEMBL21634929 0.79 CARM1 (0.35)
SCHEMBL16216086 0.77 SRC (0.49) RAB9AMAPK1PTPN7DUSP3ANPEP
SCHEMBL558635 0.75 TSHR (0.57) MAPK1FFAR1POLB
SCHEMBL559409 0.75 P2RX7 (0.33) EPHX2POLB
SCHEMBL558631 0.74 ALDH1A1 (0.57) MAPK1EPHX2POLB
SCHEMBL22778042 0.74 PPARG (0.49) PTPN7DUSP3EPHX2FFAR1
M-Fluorobenzylguanidine SCHEMBL4335223 0.73 SRC (0.49) RAB9AMAPK1PTPN7DUSP3ANPEP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2315761-B1 PHARMACEUTICAL COMPOUNDS SENTINEL ONCOLOGY LTD (GB) 2018-07-11 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-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-20140221377-A1 Quinuclidine Compounds as Alpha-7 Nicotinic Acetylcholine Receptor Ligands BRISTOL MYERS SQUIBB CO (US) 2014-08-07 US disclosed
US-8461339-B2 Pharmaceutical compounds SENTINEL ONCOLOGY LIMITED (US) 2013-06-11 US disclosed
US-20130131064-A1 Quinuclidine Compounds as Alpha-7 Nicotinic Acetylcholine Receptor Ligands BRISTOL-MYERS SQUIBB COMPANY (US) 2013-05-23 US disclosed
US-8309577-B2 Quinuclidine compounds as α-7 nicotinic acetylcholine receptor ligands BRISTOL-MYERS SQUIBB COMPANY (US) 2012-11-13 US disclosed
EP-2493892-A1 QUINUCLIDINE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS Bristol-Myers Squibb Company (US) 2012-09-05 EP 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-20110130394-A1 PHARMACEUTICAL COMPOUNDS SENTINEL ONCOLOGY LIMITED (GB) 2011-06-02 US disclosed
WO-2011053292-A1 QUINUCLIDINE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS BRISTOL-MYERS SQUIBB COMPANY (US) 2011-05-05 WO disclosed
EP-2315761-A1 PHARMACEUTICAL COMPOUNDS Sentinel Oncology Limited (GB) 2011-05-04 EP disclosed
US-20100099684-A1 Quinuclidine Compounds as Alpha-7 Nicotinic Acetylcholine Receptor Ligands BRISTOL-MYERS SQUIBB COMPANY 2010-04-22 US disclosed
WO-2010007374-A1 PHARMACEUTICAL COMPOUNDS SENTINEL ONCOLOGY LIMITED (GB) 2010-01-21 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 (9 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 RAB9A 333/4885MAPK1 1647/4885PTPN7 797/4885
US-20120035189-A1 Quinuclidine Compounds as Alpha-7 Nicotinic Acetylcholine Receptor Ligands CHRNA7, CHRNA5, CHRNA6 RAB9A 333/4885MAPK1 1647/4885PTPN7 797/4885
US-20120035178-A1 Quinuclidine Compounds as Alpha-7 Nicotinic Acetylcholine Receptor Ligands CHRNA7, CHRNA5, CHRNA6 RAB9A 333/4885MAPK1 1647/4885PTPN7 797/4885
US-20140221377-A1 Quinuclidine Compounds as Alpha-7 Nicotinic Acetylcholine Receptor Ligands CHRNA7, CHRNA5, CHRNA6 RAB9A 333/4885MAPK1 1647/4885PTPN7 797/4885
US-20110130394-A1 PHARMACEUTICAL COMPOUNDS NR2C2, NR3C2, NR0B2 RAB9A 4088/4885MAPK1 339/4885PTPN7 126/4885
US-20130131064-A1 Quinuclidine Compounds as Alpha-7 Nicotinic Acetylcholine Receptor Ligands CHRNA7, CHRNA5, CHRNA6 RAB9A 333/4885MAPK1 1647/4885PTPN7 797/4885
US-20160101104-A1 QUINUCLIDINE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS CHRNA7, CHRNA5, CHRNA6 RAB9A 333/4885MAPK1 1647/4885PTPN7 797/4885
US-20150342935-A1 QUINUCLIDINE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS CHRNA7, CHRNA5, CHRNA6 RAB9A 333/4885MAPK1 1647/4885PTPN7 797/4885
US-20150094309-A1 QUINUCLIDINE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS CHRNA7, CHRNA5, CHRNA6 RAB9A 333/4885MAPK1 1647/4885PTPN7 797/4885

“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.