SCHEMBL2947236

SCHEMBL2947236

Cl[C@@H](CN1CCOCC1)c1ccc(Br)cc1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.50
USP2 O75604 2/20 0.50
HSP90AA1 P07900 1/20 0.49
NTSR1 P30989 1/20 0.49
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
KDM4E B2RXH2 2/20 0.47
ALDH1A1 P00352 2/20 0.47
ALOX12 P18054 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.43
MPI P34949 1/20 0.43
MAPK1 P28482 1/20 0.43
IGF1R P08069 3/20 0.42
MGLL Q99685 1/20 0.41
NPC1 O15118 1/20 0.41

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
SCHEMBL2947238 1.00 TSHR (0.50) TSHRUSP2HSP90AA1NTSR1KMT2A
SCHEMBL27775273 1.00 TSHR (0.50) TSHRUSP2HSP90AA1NTSR1KMT2A
SCHEMBL4071246 0.80 KDM4E (0.71) TSHRUSP2HSP90AA1NTSR1KMT2A
SCHEMBL27775260 0.80 TSHR (0.50) TSHRUSP2HSP90AA1NTSR1KMT2A
SCHEMBL2950084 0.80 KDM4E (0.71) TSHRUSP2HSP90AA1NTSR1KMT2A
SCHEMBL3228765 0.80 ALDH1A1 (0.53) TSHRUSP2HSP90AA1NTSR1KMT2A
SCHEMBL3045356 0.78 HSP90AA1 (0.50) TSHRUSP2HSP90AA1NTSR1KMT2A
SCHEMBL2955952 0.78 TSHR (0.48) TSHRUSP2HSP90AA1NTSR1KMT2A
SCHEMBL27566273 0.78 HSP90AA1 (0.50) TSHRUSP2HSP90AA1NTSR1KMT2A
SCHEMBL2954493 0.76 ALDH1A1 (0.47) TSHRUSP2HSP90AA1NTSR1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101516378-B Morpholinyl and pyrrolidinyl analogs SMITHKLINE BEECHAM CORP 2011-06-15 CN disclosed
US-20100256130-A1 MORPHOLINYL AND PYRROLIDINYL ANALOGS GOODMAN KRISTA B 2010-10-07 US disclosed
US-20100256130-A1 MORPHOLINYL AND PYRROLIDINYL ANALOGS GOODMAN KRISTA B 2010-10-07 US disclosed
US-20100256130-A1 MORPHOLINYL AND PYRROLIDINYL ANALOGS GOODMAN KRISTA B 2010-10-07 US disclosed
US-7749998-B2 Morpholinyl and pyrrolidinyl analogs GLAXOSMITHKLINE LLC (US) 2010-07-06 US disclosed
US-7749998-B2 Morpholinyl and pyrrolidinyl analogs GLAXOSMITHKLINE LLC (US) 2010-07-06 US disclosed
US-7749998-B2 Morpholinyl and pyrrolidinyl analogs GLAXOSMITHKLINE LLC (US) 2010-07-06 US disclosed
US-20090275571-A1 MORPHOLINYL AND PYRROLIDINYL ANALOGS SMITHKLINE BEECHAM CORPORATION 2009-11-05 US disclosed
US-20090275571-A1 MORPHOLINYL AND PYRROLIDINYL ANALOGS SMITHKLINE BEECHAM CORPORATION 2009-11-05 US disclosed
US-20090275571-A1 MORPHOLINYL AND PYRROLIDINYL ANALOGS SMITHKLINE BEECHAM CORPORATION 2009-11-05 US disclosed
CN-101516378-A Morpholinyl and pyrrolidinyl analogs SMITHKLINE BEECHAM CORP (US) 2009-08-26 CN disclosed
EP-2049118-A1 MORPHOLINYL AND PYRROLIDINYL ANALOGS SmithKline Beecham Corporation (US) 2009-04-22 EP disclosed
US-7432258-B2 Morpholinyl and pyrrolidinyl analogs SMITHKLINE BEECHAM CORPORATION (US) 2008-10-07 US disclosed
US-7432258-B2 Morpholinyl and pyrrolidinyl analogs SMITHKLINE BEECHAM CORPORATION (US) 2008-10-07 US disclosed
US-7432258-B2 Morpholinyl and pyrrolidinyl analogs SMITHKLINE BEECHAM CORPORATION (US) 2008-10-07 US disclosed
WO-2008011551-A1 MORPHOLINYL AND PYRROLIDINYL ANALOGS SMITHKLINE BEECHAM CORPORATION (US) 2008-01-24 WO disclosed
WO-2008011551-A1 MORPHOLINYL AND PYRROLIDINYL ANALOGS SMITHKLINE BEECHAM CORPORATION (US) 2008-01-24 WO disclosed
US-20080021023-A1 4'-[(1R)-1-[[(6,7-dichloro-3-oxo-2,3-dihydro-4H-1,4-benzoxazin- 4-yl)acetyl](methyl)amino]-2-(4-morpholinyl)ethyl]-4-biphenylcarboxylic acid; as antagonists of urotensin II, congestive heart failure, stroke, ischemic heart disease (e.g. angina, myocardial ischemia), cardiac arrhythmia, hypertension GLAXOSMITHKLINE LLC 2008-01-24 US disclosed
US-20080021023-A1 4'-[(1R)-1-[[(6,7-dichloro-3-oxo-2,3-dihydro-4H-1,4-benzoxazin- 4-yl)acetyl](methyl)amino]-2-(4-morpholinyl)ethyl]-4-biphenylcarboxylic acid; as antagonists of urotensin II, congestive heart failure, stroke, ischemic heart disease (e.g. angina, myocardial ischemia), cardiac arrhythmia, hypertension GLAXOSMITHKLINE LLC 2008-01-24 US disclosed
US-20080021023-A1 4'-[(1R)-1-[[(6,7-dichloro-3-oxo-2,3-dihydro-4H-1,4-benzoxazin- 4-yl)acetyl](methyl)amino]-2-(4-morpholinyl)ethyl]-4-biphenylcarboxylic acid; as antagonists of urotensin II, congestive heart failure, stroke, ischemic heart disease (e.g. angina, myocardial ischemia), cardiac arrhythmia, hypertension GLAXOSMITHKLINE LLC 2008-01-24 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-20100256130-A1 MORPHOLINYL AND PYRROLIDINYL ANALOGS UTS2R, AVPR2, VIPR2 TSHR 2055/4885USP2 1735/4885HSP90AA1 3333/4885
US-20090275571-A1 MORPHOLINYL AND PYRROLIDINYL ANALOGS UTS2R, AVPR2, VIPR2 TSHR 2055/4885USP2 1735/4885HSP90AA1 3333/4885
US-20080021023-A1 4'-[(1R)-1-[[(6,7-dichloro-3-oxo-2,3-dihydro-4H-1,4-benzoxazin- 4-yl)acetyl](methyl)amino]-2-(4-morpholinyl)ethyl]-4-biphenylcarboxylic acid; as antagonists of urotensin II, congestive heart failure, stroke, ischemic heart disease (e.g. angina, myocardial ischemia), cardiac arrhythmia, hypertension UTS2R, PLAUR, FABP3 TSHR 2508/4885USP2 705/4885HSP90AA1 1612/4885

“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.