SCHEMBL1004494

SCHEMBL1004494

CCC1COCCN1c1nc2c(C(=O)OC)cc(Cl)cc2o1

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 9/20 0.50
HCRTR1 O43613 1/20 0.39
HCRTR2 O43614 1/20 0.39
DRD2 P14416 1/20 0.36
KCNH2 Q12809 1/20 0.36
ATR Q13535 2/20 0.35
MTOR P42345 6/20 0.35
PIK3CA P42336 2/20 0.35
PIM1 P11309 1/20 0.33
PIM2 Q9P1W9 1/20 0.33

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
SCHEMBL1004495 1.00 HTR3A (0.50) HTR3AHCRTR1HCRTR2DRD2KCNH2
SCHEMBL1005607 0.89 HTR3A (0.50) HTR3AHCRTR1HCRTR2KCNH2ATR
SCHEMBL1005609 0.89 HTR3A (0.50) HTR3AHCRTR1HCRTR2KCNH2ATR
SCHEMBL1007822 0.88 HTR3A (0.49) HTR3AHCRTR1HCRTR2ATRMTOR
SCHEMBL1004493 0.88 HTR3A (0.49) HTR3AHCRTR1HCRTR2ATRMTOR
SCHEMBL1005040 0.85 HTR3A (0.51) HTR3AHCRTR1HCRTR2KCNH2ATR
SCHEMBL1005041 0.85 HTR3A (0.51) HTR3AHCRTR1HCRTR2KCNH2ATR
SCHEMBL1005154 0.84 HTR3A (0.65) HTR3AKCNH2MTOR
SCHEMBL1004320 0.84 HTR3A (0.65) HTR3AKCNH2MTOR
SCHEMBL8224380 0.80 HTR3A (0.77) 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 3/4885HCRTR1 456/4885HCRTR2 218/4885

“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.