SCHEMBL1005752

SCHEMBL1005752

CC1CN(c2nc3c(C(=O)O)cccc3o2)CCN1C(=O)OC(C)(C)C.[LiH]

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 5/20 0.49
MAP4K4 O95819 1/20 0.47
GPR119 Q8TDV5 2/20 0.43
HDAC1 Q13547 1/20 0.41
NR1H2 P55055 6/20 0.40
NR1H3 Q13133 5/20 0.39
HTR3A P46098 3/20 0.39
KCNH2 Q12809 1/20 0.39
SUV39H2 Q9H5I1 1/20 0.38
SETD7 Q8WTS6 1/20 0.37

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
Lithium Ion SCHEMBL1005750 0.91 MAP4K4 (0.49) NAAAMAP4K4GPR119HDAC1NR1H2
SCHEMBL1006760 0.90 NAAA (0.47) NAAAMAP4K4GPR119HDAC1NR1H2
SCHEMBL1006343 0.87 NR1H3 (0.53) NAAANR1H2NR1H3HTR3AKCNH2
SCHEMBL1006345 0.87 NR1H3 (0.53) NAAANR1H2NR1H3HTR3AKCNH2
SCHEMBL1006503 0.85 NR1H3 (0.42) NAAANR1H2NR1H3HTR3AKCNH2
SCHEMBL1004307 0.83 HCAR2 (0.47) NAAAMAP4K4GPR119
SCHEMBL1005424 0.82 HTR3A (0.47) GPR119HTR3AKCNH2
SCHEMBL1003499 0.82 HTR3A (0.47) GPR119HTR3AKCNH2
SCHEMBL4409888 0.82 HTR3A (0.47) GPR119HTR3AKCNH2
SCHEMBL1004423 0.81 HTR3A (0.67) HTR3AKCNH2

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 1693/4885GPR119 350/4885

“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.