SCHEMBL1005348

SCHEMBL1005348

O=C(O)c1cccc2oc(N3CCn4c(nnc4C(F)(F)F)C3)nc12.[LiH]

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 5/20 0.40
PARP1 P09874 2/20 0.40
PARP2 Q9UGN5 1/20 0.40
HTR6 P50406 2/20 0.38
DPP4 P27487 8/20 0.38
HCAR2 Q8TDS4 1/20 0.38
HTR3A P46098 2/20 0.37
KCNH2 Q12809 2/20 0.37
DPP8 Q6V1X1 1/20 0.36

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 SCHEMBL1005346 0.91 P2RX7 (0.39) P2RX7PARP1PARP2HTR6DPP4
SCHEMBL1008338 0.89 TOP2A (0.42) P2RX7PARP1PARP2DPP4HTR3A
SCHEMBL1005325 0.80 HTR3A (0.67) HTR3AKCNH2
Hydrochloric Acid SCHEMBL1004959 0.80 HTR3A (0.66) HTR3AKCNH2
SCHEMBL1005847 0.76 HTR3A (0.40) P2RX7HTR6HCAR2HTR3AKCNH2
SCHEMBL8221829 0.76 HTR3A (0.52) HTR3AKCNH2
SCHEMBL1004884 0.75 HTR6 (0.50) HTR6HCAR2HTR3AKCNH2
SCHEMBL1004342 0.73 HTR6 (0.58) HTR6HCAR2HTR3AKCNH2
SCHEMBL1005143 0.72 HTR6 (0.46) PARP1HTR6HCAR2HTR3AKCNH2
SCHEMBL1006313 0.72 HTR3A (0.60) HTR6HCAR2HTR3AKCNH2

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 P2RX7 363/4885PARP1 1738/4885PARP2 545/4885

“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.