SCHEMBL1004231

SCHEMBL1004231

C[C@H]1COC[C@H](C)N1c1nc2c(C(=O)O)cccc2o1.[LiH]

nearest known ligand 0.61

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 19/20 0.61
KCNH2 Q12809 3/20 0.49
CYP2C19 P33261 1/20 0.49
IDO1 P14902 1/20 0.39
MAOA P21397 1/20 0.39
MAOB P27338 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
SCHEMBL1005718 0.99 HTR3A (0.62) HTR3AKCNH2CYP2C19IDO1MAOA
SCHEMBL1005675 0.91 HTR3A (0.65) HTR3AKCNH2CYP2C19IDO1MAOA
SCHEMBL1006421 0.90 HTR3A (0.66) HTR3AKCNH2CYP2C19IDO1MAOA
Lithium Ion SCHEMBL1004230 0.88 HTR3A (0.61) HTR3AKCNH2CYP2C19
Hydrochloric Acid SCHEMBL1004969 0.87 HTR3A (0.60) HTR3AKCNH2CYP2C19
SCHEMBL1006321 0.87 HTR3A (0.61) HTR3AKCNH2CYP2C19IDO1MAOA
SCHEMBL1005020 0.86 HTR3A (0.62) HTR3AKCNH2CYP2C19
SCHEMBL1006765 0.85 HTR3A (0.51) HTR3AKCNH2CYP2C19IDO1MAOA
SCHEMBL3980924 0.85 HTR3A (0.51) HTR3AKCNH2CYP2C19IDO1MAOA
SCHEMBL1003492 0.84 HTR3A (0.64) HTR3AKCNH2CYP2C19

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 HTR3A 3/4885KCNH2 1871/4885CYP2C19 169/4885

“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.