SCHEMBL1005847

SCHEMBL1005847

O=C(O)c1cccc2oc(N3CCn4ccnc4C3)nc12.[LiH]

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 5/20 0.40
KCNH2 Q12809 2/20 0.40
HCAR2 Q8TDS4 1/20 0.39
P2RX7 Q99572 1/20 0.39
SCD O00767 1/20 0.38
SCD5 Q86SK9 1/20 0.38
HTR6 P50406 5/20 0.37
IDO1 P14902 1/20 0.35
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35
NAAA Q02083 1/20 0.34
ATR Q13535 1/20 0.34
ATRIP Q8WXE1 1/20 0.34
HDAC11 Q96DB2 1/20 0.34
RIPK1 Q13546 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
Lithium Ion SCHEMBL1005845 0.89 HTR3A (0.40) HTR3AKCNH2HCAR2P2RX7SCD
SCHEMBL1005315 0.87 TOP2A (0.42) HTR3AKCNH2P2RX7SCDSCD5
SCHEMBL1005978 0.78 HCAR2 (0.47) HTR3AKCNH2HCAR2HTR6
SCHEMBL1004421 0.78 HTR3A (0.71) HTR3AKCNH2
Hydrochloric Acid SCHEMBL1003567 0.77 HTR3A (0.70) HTR3AKCNH2
SCHEMBL1005143 0.77 HTR6 (0.46) HTR3AKCNH2HCAR2HTR6IDO1
SCHEMBL1005348 0.76 P2RX7 (0.40) HTR3AKCNH2HCAR2P2RX7HTR6
SCHEMBL1004342 0.76 HTR6 (0.58) HTR3AKCNH2HCAR2HTR6IDO1
SCHEMBL1004884 0.75 HTR6 (0.50) HTR3AKCNH2HCAR2HTR6IDO1
SCHEMBL1006313 0.74 HTR3A (0.60) HTR3AKCNH2HCAR2HTR6IDO1

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.