SCHEMBL13099996

SCHEMBL13099996

CCOC(=O)Cn1c(=O)oc2ccc(OC)cc21

nearest known ligand 0.64

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CDYL2 Q8N8U2 9/20 0.64
▸ CDYL Q9Y232 8/20 0.64
▸ CBX7 O95931 8/20 0.64
▸ CDY1; CDY1B Q9Y6F8 7/20 0.64
▸ KMO O15229 1/20 0.62
▸ TP53 P04637 1/20 0.58
▸ L3MBTL1 Q9Y468 1/20 0.57
▸ CD74 P04233 1/20 0.55
▸ MIF P14174 1/20 0.55
▸ TSPO P30536 1/20 0.53

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
SCHEMBL3074930 0.90 TP53 (0.66) CDYL2CDYLCBX7CDY1; CDY1BTP53
SCHEMBL13099998 0.86 L3MBTL1 (0.53) CDYL2CDYLCBX7CDY1; CDY1BKMO
SCHEMBL16186527 0.86 L3MBTL1 (0.74) TP53L3MBTL1CD74MIF
SCHEMBL29957877 0.84 KMO (0.76) CDYL2CDYLCBX7CDY1; CDY1BKMO
SCHEMBL2950965 0.84 KMO (0.76) CDYL2CDYLCBX7CDY1; CDY1BKMO
SCHEMBL31324857 0.84 CDYL2 (0.63) CDYL2CDYLCBX7CDY1; CDY1BKMO
SCHEMBL27033665 0.84 CDYL2 (0.63) CDYL2CDYLCBX7CDY1; CDY1BKMO
SCHEMBL25307601 0.84 L3MBTL1 (0.58) CDYL2CDYLCBX7CDY1; CDY1BTP53
SCHEMBL29958210 0.83 CDYL2 (0.69) CDYL2CDYLCBX7CDY1; CDY1BKMO
SCHEMBL27033393 0.83 CDYL2 (0.69) CDYL2CDYLCBX7CDY1; CDY1BKMO

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 10 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-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-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-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 CDYL2 3216/4885CDYL 4158/4885CBX7 4711/4885
US-20090275571-A1 MORPHOLINYL AND PYRROLIDINYL ANALOGS UTS2R, AVPR2, VIPR2 CDYL2 3216/4885CDYL 4158/4885CBX7 4711/4885
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 CDYL2 2887/4885CDYL 3568/4885CBX7 1889/4885

“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.

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