SCHEMBL3023814

SCHEMBL3023814

CCOC(=O)c1cc2cc(OCC[C@H]3COC(C)(C)O3)ccc2n1C(=O)OC(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MAOA P21397 2/20 0.42
▸ NR1H2 P55055 2/20 0.36
▸ MAPK14 Q16539 2/20 0.35
▸ GPR119 Q8TDV5 6/20 0.34
▸ NOD2 Q9HC29 1/20 0.33
▸ NOD1 Q9Y239 1/20 0.33
▸ HPGD P15428 2/20 0.32
▸ BCHE P06276 1/20 0.32
▸ ACHE P22303 1/20 0.32
▸ MAOB P27338 1/20 0.32
▸ HTR7 P34969 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ NPSR1 Q6W5P4 1/20 0.31

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
SCHEMBL3033868 0.90 NR1H2 (0.38) MAOANR1H2MAPK14GPR119HPGD
SCHEMBL13560585 0.86 MAOA (0.36) MAOAMAPK14HTR7
SCHEMBL6514090 0.81 MAOA (0.47) MAOANR1H2NOD2NOD1HPGD
SCHEMBL6520445 0.81 NR1H2 (0.45) MAOANR1H2NOD2NOD1HPGD
SCHEMBL13560588 0.81 MAPK14 (0.35) MAOAMAPK14HPGD
SCHEMBL6512126 0.80 NOD2 (0.44) MAOANR1H2NOD2NOD1HPGD
SCHEMBL4821364 0.80 NR1H2 (0.44) MAOANR1H2NOD2NOD1HPGD
SCHEMBL13560586 0.79 MAPK14 (0.35) MAOAMAPK14
SCHEMBL3027681 0.78 NR1H2 (0.42) MAOANR1H2GPR119NOD2NOD1
SCHEMBL3027473 0.77 NR1H2 (0.41) MAOANR1H2NOD2NOD1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8304419-B2 Chemical compounds GLAXOSMITHKLINE LLC (US) 2012-11-06 — — US disclosed
US-8304419-B2 Chemical compounds GLAXOSMITHKLINE LLC (US) 2012-11-06 — — US disclosed
US-8304419-B2 Chemical compounds GLAXOSMITHKLINE LLC (US) 2012-11-06 — — US disclosed
US-20100216746-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC (US) 2010-08-26 — — US disclosed
US-20100216746-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC (US) 2010-08-26 — — US disclosed
US-20100216746-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC (US) 2010-08-26 — — US disclosed
WO-2008154271-A1 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2008-12-18 — — 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 (1 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-20100216746-A1 CHEMICAL COMPOUNDS SAMHD1, POLRMT, NUDT1 MAOA 1265/4885NR1H2 1873/4885MAPK14 3907/4885

“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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