SCHEMBL4315550

SCHEMBL4315550

CC1CC1c1nc2c(C(=O)O)cccc2o1

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 13/20 0.44
KCNH2 Q12809 3/20 0.44
IDO1 P14902 1/20 0.43
MAOA P21397 1/20 0.43
MAOB P27338 1/20 0.43
TOP2A P11388 2/20 0.40
ALDH1A1 P00352 1/20 0.39
CYP2C19 P33261 1/20 0.35

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
SCHEMBL4315476 0.81 HTR3A (0.57) HTR3AKCNH2IDO1MAOAMAOB
SCHEMBL4317333 0.79 HTR3A (0.53) HTR3AKCNH2IDO1MAOAMAOB
SCHEMBL4315993 0.79 HTR3A (0.56) HTR3AKCNH2IDO1MAOAMAOB
SCHEMBL4317274 0.78 HTR3A (0.52) HTR3AKCNH2IDO1MAOAMAOB
SCHEMBL4309668 0.77 HTR3A (0.50) HTR3AKCNH2IDO1MAOAMAOB
SCHEMBL4311408 0.75 HTR3A (0.78) HTR3AKCNH2
SCHEMBL4303868 0.75 HTR3A (0.82) HTR3AKCNH2CYP2C19
SCHEMBL4305393 0.75 LMNA (0.53) HTR3AKCNH2ALDH1A1
SCHEMBL496431 0.74 MAOB (0.49) IDO1MAOAMAOBTOP2AALDH1A1
Hydrochloric Acid SCHEMBL4315510 0.74 HTR3A (0.77) 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 1161/4885IDO1 41/4885
US-20080214601-A1 2-ALKYLBENZOXAZOLE CARBOXAMIDES AS 5HT3 MODULATORS HTR3E, HTR3C, HTR3A HTR3A 3/4885KCNH2 1161/4885IDO1 41/4885

“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.