SCHEMBL1007822

SCHEMBL1007822

COC(=O)c1cc(Cl)cc2oc(N3CCOCC3C)nc12

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 7/20 0.49
ATR Q13535 3/20 0.42
MTOR P42345 5/20 0.42
ATRIP Q8WXE1 1/20 0.41
HCRTR1 O43613 1/20 0.38
HCRTR2 O43614 1/20 0.38
MALT1 Q9UDY8 1/20 0.37
PIK3CA P42336 1/20 0.37
PIK3C3 Q8NEB9 2/20 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
SCHEMBL1004493 1.00 HTR3A (0.49) HTR3AATRMTORATRIPHCRTR1
SCHEMBL1006504 0.89 HTR3A (0.49) HTR3AATRMTORATRIPPIK3CA
SCHEMBL1004495 0.88 HTR3A (0.50) HTR3AATRMTORHCRTR1HCRTR2
SCHEMBL1004494 0.88 HTR3A (0.50) HTR3AATRMTORHCRTR1HCRTR2
SCHEMBL1005041 0.87 HTR3A (0.51) HTR3AATRMTORATRIPHCRTR1
SCHEMBL1005040 0.87 HTR3A (0.51) HTR3AATRMTORATRIPHCRTR1
SCHEMBL1005008 0.83 HTR3A (0.64) HTR3AATRMTOR
SCHEMBL1004430 0.83 HTR3A (0.64) HTR3AATRMTOR
SCHEMBL1004431 0.83 HTR3A (0.64) HTR3AATRMTOR
SCHEMBL1007778 0.79 HTR3A (0.76) HTR3A

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 3/4885ATR 3682/4885MTOR 1840/4885

“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.