SCHEMBL1006760

SCHEMBL1006760

COC(=O)c1cccc2oc(N3CCN(C(=O)OC(C)(C)C)C(C)C3)nc12

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 5/20 0.47
MAP4K4 O95819 1/20 0.46
HDAC1 Q13547 1/20 0.42
NR1H2 P55055 3/20 0.42
NR1H3 Q13133 2/20 0.42
HTR3A P46098 5/20 0.40
GPR119 Q8TDV5 2/20 0.40
KCNH2 Q12809 2/20 0.40
TOP2A P11388 2/20 0.40
SUV39H2 Q9H5I1 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
SCHEMBL1005752 0.90 NAAA (0.49) NAAAMAP4K4HDAC1NR1H2NR1H3
Lithium Ion SCHEMBL1005750 0.90 MAP4K4 (0.49) NAAAMAP4K4HDAC1NR1H2NR1H3
SCHEMBL1008240 0.88 NR1H3 (0.49) NAAANR1H2NR1H3HTR3AKCNH2
SCHEMBL1008242 0.88 NR1H3 (0.49) NAAANR1H2NR1H3HTR3AKCNH2
SCHEMBL1005082 0.87 PARP1 (0.41) NAAANR1H2NR1H3HTR3AKCNH2
SCHEMBL1005084 0.87 PARP1 (0.41) NAAANR1H2NR1H3HTR3AKCNH2
SCHEMBL1006076 0.86 HTR3A (0.42) NAAANR1H2NR1H3HTR3AKCNH2
SCHEMBL1005073 0.84 PARP1 (0.44) NAAAHTR3AKCNH2TOP2A
SCHEMBL1004469 0.82 HTR3A (0.48) HTR3AGPR119KCNH2TOP2A
SCHEMBL1004355 0.82 HTR3A (0.48) HTR3AGPR119KCNH2TOP2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7863271-B2 2-aminobenzoxazole carboxamides as 5HT3 modulators ALBANY MOLECULAR RESEARCH, INC. (US) 2011-01-04 US disclosed
EP-2061460-A2 2-AMINOBENZOXAZOLE CARBOXAMIDES AS 5HT3 MODULATORS Albany Molecular Research, Inc. (US) 2009-05-27 EP disclosed
US-20080255114-A1 2-AMINOBENZOXAZOLE CARBOXAMIDES AS 5HT3 MODULATORS AMR TECHNOLOGY, INC. (US) 2008-10-16 US disclosed
WO-2008019372-A2 2-AMINOBENZOXAZOLE CARBOXAMIDES AS 5HT3 MODULATORS ALBANY MOLECULAR RESEARCH, INC. (US) 2008-02-14 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-20080255114-A1 2-AMINOBENZOXAZOLE CARBOXAMIDES AS 5HT3 MODULATORS HTR3E, HTR3C, HTR3A NAAA 856/4885MAP4K4 1693/4885HDAC1 3142/4885

“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.