SCHEMBL1006017

SCHEMBL1006017

CC[C@H]1COCCN1c1nc2c(C(=O)O)cccc2o1

nearest known ligand 0.66

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 18/20 0.66
KCNH2 Q12809 2/20 0.45
ATR Q13535 1/20 0.37
PIK3CA P42336 1/20 0.37
MTOR P42345 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
SCHEMBL1004970 1.00 HTR3A (0.66) HTR3AKCNH2ATRPIK3CAMTOR
SCHEMBL1004971 1.00 HTR3A (0.66) HTR3AKCNH2ATRPIK3CAMTOR
SCHEMBL1007050 0.92 HTR3A (0.67) HTR3AKCNH2MTOR
SCHEMBL1007048 0.92 HTR3A (0.67) HTR3AKCNH2MTOR
SCHEMBL1005660 0.89 HTR3A (0.68) HTR3AKCNH2
SCHEMBL1004320 0.89 HTR3A (0.65) HTR3AKCNH2MTOR
SCHEMBL1005154 0.89 HTR3A (0.65) HTR3AKCNH2MTOR
SCHEMBL1005657 0.89 HTR3A (0.68) HTR3AKCNH2
SCHEMBL3984980 0.87 HTR3A (0.65) HTR3AKCNH2ATRMTOR
SCHEMBL5108964 0.87 HTR3A (0.65) HTR3AKCNH2ATRMTOR

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 2 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
US-20080255114-A1 2-AMINOBENZOXAZOLE CARBOXAMIDES AS 5HT3 MODULATORS AMR TECHNOLOGY, INC. (US) 2008-10-16 US 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 1871/4885ATR 3682/4885

“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.