SCHEMBL4315993

SCHEMBL4315993

O=C(O)c1cccc2oc(C3CCC3)nc12

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 7/20 0.56
KCNH2 Q12809 3/20 0.56
LMNA P02545 4/20 0.45
IDO1 P14902 1/20 0.43
MAOA P21397 1/20 0.43
MAOB P27338 1/20 0.43
HTR2B P41595 1/20 0.42
ALDH1A1 P00352 1/20 0.40
HSD17B10 Q99714 1/20 0.39
PARP1 P09874 1/20 0.39
TOP2A P11388 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CYP3A4 P08684 1/20 0.37
THRB P10828 1/20 0.37

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
SCHEMBL4317333 0.97 HTR3A (0.53) HTR3AKCNH2LMNAIDO1MAOA
SCHEMBL4317274 0.96 HTR3A (0.52) HTR3AKCNH2LMNAIDO1MAOA
SCHEMBL4315476 0.94 HTR3A (0.57) HTR3AKCNH2LMNAIDO1MAOA
SCHEMBL4309668 0.89 HTR3A (0.50) HTR3AKCNH2LMNAIDO1MAOA
SCHEMBL4305393 0.83 LMNA (0.53) HTR3AKCNH2LMNAHTR2BALDH1A1
SCHEMBL4315550 0.79 HTR3A (0.44) HTR3AKCNH2IDO1MAOAMAOB
SCHEMBL4305254 0.78 SMN1; SMN2 (0.51) HTR3AKCNH2LMNAHTR2BALDH1A1
SCHEMBL4318157 0.77 HTR3A (0.48) HTR3AKCNH2PARP1
SCHEMBL4313234 0.75 HTR3A (0.92) HTR3AKCNH2
SCHEMBL4313238 0.75 HTR3A (0.92) HTR3AKCNH2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8278301-B2 2-alkylbenzoxazole carboxamides as 5HT3 modulators ALBANY MOLECULAR RESEARCH, INC. (US) 2012-10-02 US disclosed
US-20090227576-A1 2-ALKYLBENZOXAZOLE CARBOXAMIDES AS 5HT3 MODULATORS ALBANY MOLECULAR RESEARCH, INC. (US) 2009-09-10 US disclosed
US-7553846-B2 2-alkylbenzoxazole carboxamides as 5-HT3 modulators ALBANY MOLECULAR RESEARCH, INC. (US) 2009-06-30 US disclosed
US-20080214601-A1 2-ALKYLBENZOXAZOLE CARBOXAMIDES AS 5HT3 MODULATORS AMR TECHNOLOGY, INC. (US) 2008-09-04 US disclosed
WO-2008019363-A2 2-ALKYLBENZOXAZOLE 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 (2 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-20090227576-A1 2-ALKYLBENZOXAZOLE CARBOXAMIDES AS 5HT3 MODULATORS HTR3E, HTR3C, HTR3A HTR3A 3/4885KCNH2 1161/4885LMNA 2774/4885
US-20080214601-A1 2-ALKYLBENZOXAZOLE CARBOXAMIDES AS 5HT3 MODULATORS HTR3E, HTR3C, HTR3A HTR3A 3/4885KCNH2 1161/4885LMNA 2774/4885

“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.