SCHEMBL1005043

SCHEMBL1005043

COC1CCN(c2nc3c(C(=O)O)cccc3o2)CC1.[LiH]

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 6/20 0.46
KCNH2 Q12809 3/20 0.46
MGLL Q99685 2/20 0.44
HCAR2 Q8TDS4 1/20 0.41
HTR6 P50406 5/20 0.41
PIK3CA P42336 1/20 0.40
LMNA P02545 3/20 0.40
MAPT P10636 2/20 0.40
TOP2A P11388 1/20 0.39
GAA P10253 1/20 0.39
KMT2A Q03164 1/20 0.39
TSHR P16473 1/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL1007287 0.89 HTR3A (0.48) HTR3AKCNH2MGLLLMNAMAPT
Lithium Ion SCHEMBL1005042 0.89 HTR3A (0.46) HTR3AKCNH2MGLLHTR6LMNA
SCHEMBL1004342 0.81 HTR6 (0.58) HTR3AKCNH2HCAR2HTR6LMNA
SCHEMBL1004884 0.80 HTR6 (0.50) HTR3AKCNH2HCAR2HTR6LMNA
SCHEMBL1006313 0.79 HTR3A (0.60) HTR3AKCNH2HCAR2HTR6PIK3CA
SCHEMBL1008109 0.79 HTR3A (0.44) HTR3AKCNH2HCAR2HTR6
SCHEMBL1008309 0.78 HTR3A (0.79) HTR3AKCNH2
Hydrochloric Acid SCHEMBL1005816 0.77 HTR3A (0.78) HTR3AKCNH2
SCHEMBL1054669 0.77 HTR6 (0.54) HTR3AKCNH2HCAR2HTR6
SCHEMBL1005140 0.77 HTR3A (0.45) HTR3AKCNH2HCAR2HTR6GAA

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 1871/4885MGLL 2402/4885

“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.