SCHEMBL1006504

SCHEMBL1006504

CC1COCCN1c1nc2c(C(=O)O)cc(Cl)cc2o1

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 7/20 0.49
MTOR P42345 4/20 0.42
ATR Q13535 3/20 0.39
PIK3C3 Q8NEB9 3/20 0.39
ATRIP Q8WXE1 1/20 0.38
PIK3CA P42336 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
SCHEMBL1007822 0.89 HTR3A (0.49) HTR3AMTORATRPIK3C3ATRIP
SCHEMBL1004493 0.89 HTR3A (0.49) HTR3AMTORATRPIK3C3ATRIP
SCHEMBL1005609 0.87 HTR3A (0.50) HTR3AMTORATRPIK3CA
SCHEMBL1005607 0.87 HTR3A (0.50) HTR3AMTORATRPIK3CA
SCHEMBL5103190 0.86 HTR3A (0.51) HTR3AMTORPIK3C3
SCHEMBL5103194 0.86 HTR3A (0.51) HTR3AMTORPIK3C3
SCHEMBL1006185 0.85 HTR3A (0.50) HTR3AMTORPIK3C3
SCHEMBL3984980 0.82 HTR3A (0.65) HTR3AMTORATR
SCHEMBL5108964 0.82 HTR3A (0.65) HTR3AMTORATR
SCHEMBL3984982 0.82 HTR3A (0.65) HTR3AMTORATR

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 3/4885MTOR 1840/4885ATR 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.