SCHEMBL1007555

SCHEMBL1007555

C[C@@H]1CN(c2nc3c(C(=O)O)cccc3o2)C[C@H](C)O1

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 9/20 0.61
KCNH2 Q12809 3/20 0.44
PTPRF P10586 1/20 0.43
PTPN2 P17706 1/20 0.43
PTPN1 P18031 1/20 0.43
KDM4E B2RXH2 1/20 0.42
LMNA P02545 1/20 0.42
HCRTR1 O43613 2/20 0.41
HCRTR2 O43614 2/20 0.41
IDO1 P14902 1/20 0.40
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40
HCAR2 Q8TDS4 1/20 0.39
FAAH O00519 1/20 0.39
CYP2C19 P33261 1/20 0.39
HTR6 P50406 1/20 0.39
NAAA Q02083 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
SCHEMBL4293504 1.00 HTR3A (0.61) HTR3AKCNH2PTPRFPTPN2PTPN1
SCHEMBL4293502 1.00 HTR3A (0.61) HTR3AKCNH2PTPRFPTPN2PTPN1
SCHEMBL3990473 0.87 HTR3A (0.61) HTR3AKCNH2KDM4EHCRTR1HCRTR2
SCHEMBL1005033 0.87 HTR3A (0.61) HTR3AKCNH2KDM4EHCRTR1HCRTR2
SCHEMBL3990476 0.87 HTR3A (0.61) HTR3AKCNH2KDM4EHCRTR1HCRTR2
SCHEMBL1004342 0.80 HTR6 (0.58) HTR3AKCNH2LMNAIDO1MAOA
SCHEMBL1004884 0.79 HTR6 (0.50) HTR3AKCNH2LMNAIDO1MAOA
SCHEMBL1004465 0.78 HTR3A (0.76) HTR3AKCNH2
SCHEMBL1004466 0.78 HTR3A (0.66) HTR3AKCNH2CYP2C19
SCHEMBL1004467 0.78 HTR3A (0.76) 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 HTR3A 3/4885KCNH2 1871/4885PTPRF 4101/4885

“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.