SCHEMBL1005609

SCHEMBL1005609

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

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 8/20 0.50
PIK3CA P42336 4/20 0.36
MTOR P42345 4/20 0.36
PIM1 P11309 1/20 0.36
PIM2 Q9P1W9 1/20 0.36
KCNH2 Q12809 1/20 0.35
PIK3C2B O00750 3/20 0.34
PIK3R1 P27986 2/20 0.34
PIK3CB P42338 2/20 0.34
HCRTR1 O43613 1/20 0.34
HCRTR2 O43614 1/20 0.34
CYP3A4 P08684 1/20 0.34
ATR Q13535 1/20 0.34

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
SCHEMBL1005607 1.00 HTR3A (0.50) HTR3APIK3CAMTORPIM1PIM2
SCHEMBL1004494 0.89 HTR3A (0.50) HTR3APIK3CAMTORPIM1PIM2
SCHEMBL1004495 0.89 HTR3A (0.50) HTR3APIK3CAMTORPIM1PIM2
SCHEMBL1006504 0.87 HTR3A (0.49) HTR3APIK3CAMTORATR
SCHEMBL5103194 0.84 HTR3A (0.51) HTR3AMTORKCNH2PIK3C2BPIK3CB
SCHEMBL5103190 0.84 HTR3A (0.51) HTR3AMTORKCNH2PIK3C2BPIK3CB
SCHEMBL1006185 0.84 HTR3A (0.50) HTR3AMTORKCNH2PIK3C2BPIK3CB
SCHEMBL1004971 0.83 HTR3A (0.66) HTR3APIK3CAMTORKCNH2ATR
SCHEMBL1004970 0.83 HTR3A (0.66) HTR3APIK3CAMTORKCNH2ATR
SCHEMBL1006017 0.83 HTR3A (0.66) HTR3APIK3CAMTORKCNH2ATR

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 3/4885PIK3CA 2953/4885MTOR 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.