SCHEMBL1006076

SCHEMBL1006076

COC(=O)c1cccc2oc(N3CCN(C(=O)OC(C)(C)C)[C@@H](CC(C)C)C3)nc12

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 5/20 0.42
LMNA P02545 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
PARP1 P09874 1/20 0.39
NR1H3 Q13133 6/20 0.39
NR1H2 P55055 5/20 0.39
F2RL3 Q96RI0 2/20 0.38
KCNH2 Q12809 2/20 0.37
DPP4 P27487 1/20 0.37
TOP2A P11388 2/20 0.36
NAAA Q02083 1/20 0.36

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
SCHEMBL1006503 0.92 NR1H3 (0.42) HTR3ALMNAHTTSMN1; SMN2PARP1
SCHEMBL1005082 0.89 PARP1 (0.41) HTR3APARP1NR1H3NR1H2F2RL3
SCHEMBL1005084 0.89 PARP1 (0.41) HTR3APARP1NR1H3NR1H2F2RL3
SCHEMBL1008240 0.87 NR1H3 (0.49) HTR3ANR1H3NR1H2KCNH2TOP2A
SCHEMBL1008242 0.87 NR1H3 (0.49) HTR3ANR1H3NR1H2KCNH2TOP2A
SCHEMBL1006760 0.86 NAAA (0.47) HTR3ANR1H3NR1H2KCNH2TOP2A
SCHEMBL1005073 0.80 PARP1 (0.44) HTR3ALMNAHTTSMN1; SMN2PARP1
SCHEMBL1006345 0.78 NR1H3 (0.53) HTR3ANR1H3NR1H2KCNH2NAAA
SCHEMBL1006343 0.78 NR1H3 (0.53) HTR3ANR1H3NR1H2KCNH2NAAA
Lithium Ion SCHEMBL1005750 0.76 MAP4K4 (0.49) HTR3APARP1NR1H3NR1H2KCNH2

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 5 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
CN-101528225-A 2-aminobenzoxazole carboxamides as 5HT3 modulators AMR TECHNOLOGY INC (US) 2009-09-09 CN 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 HTR3A 3/4885LMNA 3152/4885HTT 3418/4885

“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.