SCHEMBL1005041

SCHEMBL1005041

COC(=O)c1cc(Cl)cc2oc(N3CCOC[C@@H]3C(C)(C)C)nc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 9/20 0.51
HCRTR1 O43613 1/20 0.36
HCRTR2 O43614 1/20 0.36
KCNH2 Q12809 2/20 0.35
ATR Q13535 3/20 0.34
MTOR P42345 4/20 0.34
ATRIP Q8WXE1 1/20 0.33
MEN1 O00255 1/20 0.32
APAF1 O14727 1/20 0.32
NPC1 O15118 1/20 0.32
TDP2 O95551 1/20 0.32
NSD2 O96028 1/20 0.32
PLA2G1B P04054 1/20 0.32
HSP90AA1 P07900 1/20 0.32
PLCG1 P19174 1/20 0.32
RAB9A P51151 1/20 0.32
GALK1 P51570 1/20 0.32
BLM P54132 1/20 0.32
KMT2A Q03164 1/20 0.32
PDIA6 Q15084 1/20 0.32

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
SCHEMBL1005040 1.00 HTR3A (0.51) HTR3AHCRTR1HCRTR2KCNH2ATR
SCHEMBL1007419 0.90 HTR3A (0.47) HTR3AALDH1A1
SCHEMBL1007418 0.90 HTR3A (0.47) HTR3AALDH1A1
SCHEMBL5103194 0.89 HTR3A (0.51) HTR3AHCRTR1HCRTR2KCNH2MTOR
SCHEMBL5103190 0.89 HTR3A (0.51) HTR3AHCRTR1HCRTR2KCNH2MTOR
SCHEMBL1006185 0.88 HTR3A (0.50) HTR3AHCRTR1HCRTR2KCNH2MTOR
Lithium Ion SCHEMBL1005878 0.87 HTR3A (0.49) HTR3AHCRTR1HCRTR2KCNH2
SCHEMBL1004493 0.87 HTR3A (0.49) HTR3AHCRTR1HCRTR2ATRMTOR
SCHEMBL1007822 0.87 HTR3A (0.49) HTR3AHCRTR1HCRTR2ATRMTOR
SCHEMBL1004495 0.85 HTR3A (0.50) HTR3AHCRTR1HCRTR2KCNH2ATR

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 3/4885HCRTR1 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.