SCHEMBL1005140

SCHEMBL1005140

O=C(O)c1cccc2oc(N3CCC4(CC3)OCCO4)nc12.[LiH]

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 3/20 0.45
KCNH2 Q12809 2/20 0.45
HCAR2 Q8TDS4 1/20 0.43
HTR6 P50406 4/20 0.42
ALDH1A1 P00352 6/20 0.41
KDM4E B2RXH2 2/20 0.41
PTPN11 Q06124 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.39
MEN1 O00255 1/20 0.39
NPC1 O15118 1/20 0.39
MAPK1 P28482 1/20 0.39
CASP1 P29466 1/20 0.39
RAB9A P51151 1/20 0.39
CASP7 P55210 1/20 0.39
KMT2A Q03164 1/20 0.39
HSD17B10 Q99714 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39

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
Lithium Ion SCHEMBL1005139 0.88 HTR3A (0.45) HTR3AKCNH2HTR6ALDH1A1KDM4E
SCHEMBL1006464 0.85 TOP2A (0.46) HTR3AKCNH2ALDH1A1KDM4EPTPN11
SCHEMBL1006313 0.84 HTR3A (0.60) HTR3AKCNH2HCAR2HTR6IDO1
SCHEMBL1004884 0.82 HTR6 (0.50) HTR3AKCNH2HCAR2HTR6SMN1; SMN2
SCHEMBL1008109 0.81 HTR3A (0.44) HTR3AKCNH2HCAR2HTR6KDM4E
SCHEMBL1004342 0.80 HTR6 (0.58) HTR3AKCNH2HCAR2HTR6SMN1; SMN2
SCHEMBL1005978 0.78 HCAR2 (0.47) HTR3AKCNH2HCAR2HTR6ALDH1A1
SCHEMBL1005043 0.77 HTR3A (0.46) HTR3AKCNH2HCAR2HTR6SMN1; SMN2
SCHEMBL1054669 0.76 HTR6 (0.54) HTR3AKCNH2HCAR2HTR6
SCHEMBL1006194 0.75 HTR3A (0.81) HTR3AKCNH2CYP2C19

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 3/4885KCNH2 1871/4885HCAR2 289/4885

“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.