SCHEMBL2948381

SCHEMBL2948381

COc1ccc2c(c1)OCC(=O)N2CC(=O)O

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.60
HTT P42858 2/20 0.60
ALDH1A1 P00352 2/20 0.59
CBX7 O95931 2/20 0.58
CDYL2 Q8N8U2 2/20 0.58
CDYL Q9Y232 2/20 0.58
CDY1; CDY1B Q9Y6F8 2/20 0.58
L3MBTL1 Q9Y468 1/20 0.51
ALOX15 P16050 1/20 0.49
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
MAPT P10636 4/20 0.48
HSD17B10 Q99714 1/20 0.48
KMO O15229 1/20 0.47
PTGDR2 Q9Y5Y4 1/20 0.47
OPRK1 P41145 1/20 0.46
USP2 O75604 1/20 0.45

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
SCHEMBL2947181 0.90 HTT (0.70) TSHRHTTALDH1A1CBX7CDYL2
SCHEMBL13099963 0.85 HTT (0.64) TSHRHTTALDH1A1CBX7CDYL2
SCHEMBL10849516 0.82 L3MBTL1 (0.53) TSHRHTTALDH1A1CBX7CDYL2
SCHEMBL13406072 0.81 HTT (0.61) TSHRHTTALDH1A1CBX7CDYL2
SCHEMBL10533924 0.80 TSHR (0.60) TSHRHTTALDH1A1CBX7CDYL2
SCHEMBL13099948 0.80 HTT (0.63) TSHRHTTALDH1A1CBX7CDYL2
SCHEMBL13386906 0.80 ALDH1A1 (0.81) TSHRHTTALDH1A1CBX7CDYL2
SCHEMBL2947048 0.78 TSHR (0.72) TSHRHTTALDH1A1MEN1KMT2A
SCHEMBL29915336 0.78 L3MBTL1 (0.48) HTTALDH1A1CBX7CDYL2CDYL
SCHEMBL14876545 0.77 PTGDR2 (0.49) HTTALDH1A1HSD17B10KMOPTGDR2

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
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
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
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

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 2055/4885HTT 527/4885ALDH1A1 4201/4885
US-20090275571-A1 MORPHOLINYL AND PYRROLIDINYL ANALOGS UTS2R, AVPR2, VIPR2 TSHR 2055/4885HTT 527/4885ALDH1A1 4201/4885
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 2508/4885HTT 256/4885ALDH1A1 290/4885

“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.