SCHEMBL4451162

SCHEMBL4451162

O=C(N[C@@H]1CN2CCC1CC2)c1cccc2oc(CN3CCOCC3)nc12

nearest known ligand 0.72

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 11/20 0.72
KCNH2 Q12809 4/20 0.72

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
SCHEMBL4451174 1.00 HTR3A (0.72) HTR3AKCNH2
Hydrochloric Acid SCHEMBL4309858 0.99 HTR3A (0.71) HTR3AKCNH2
Hydrochloric Acid SCHEMBL4309860 0.99 HTR3A (0.71) HTR3AKCNH2
SCHEMBL4308263 0.85 HTR3A (0.71) HTR3AKCNH2
SCHEMBL4308270 0.85 HTR3A (0.71) HTR3AKCNH2
SCHEMBL1005251 0.84 HTR3A (1.00) HTR3AKCNH2
SCHEMBL1005253 0.84 HTR3A (1.00) HTR3AKCNH2
Hydrochloric Acid SCHEMBL4312204 0.84 HTR3A (0.70) HTR3AKCNH2
Hydrochloric Acid SCHEMBL4312199 0.84 HTR3A (0.70) HTR3AKCNH2
SCHEMBL4313808 0.83 HTR3A (0.69) 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 4 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

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 1161/4885
US-20080214601-A1 2-ALKYLBENZOXAZOLE CARBOXAMIDES AS 5HT3 MODULATORS HTR3E, HTR3C, HTR3A HTR3A 3/4885KCNH2 1161/4885

“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.