SCHEMBL1007419

SCHEMBL1007419

CCOC(=O)c1cc(Cl)cc2oc(N3CCOCC3C(C)(C)C)nc12

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 6/20 0.47
MAOB P27338 1/20 0.36
GAA P10253 2/20 0.35
MAPT P10636 1/20 0.35
POLB P06746 1/20 0.35
PKM P14618 1/20 0.35
DYRK1A Q13627 2/20 0.35
PIK3CA P42336 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
GLA P06280 1/20 0.34
HSD17B10 Q99714 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
SCHEMBL1007418 1.00 HTR3A (0.47) HTR3AMAOBGAAMAPTPOLB
SCHEMBL1005041 0.90 HTR3A (0.51) HTR3AALDH1A1
SCHEMBL1005040 0.90 HTR3A (0.51) HTR3AALDH1A1
SCHEMBL5103190 0.87 HTR3A (0.51) HTR3A
SCHEMBL5103194 0.87 HTR3A (0.51) HTR3A
SCHEMBL1006185 0.86 HTR3A (0.50) HTR3A
Lithium Ion SCHEMBL1005878 0.85 HTR3A (0.49) HTR3A
SCHEMBL1004494 0.79 HTR3A (0.50) HTR3APIK3CA
SCHEMBL1004495 0.79 HTR3A (0.50) HTR3APIK3CA
SCHEMBL1007822 0.77 HTR3A (0.49) HTR3APIK3CA

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 2 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
US-20080255114-A1 2-AMINOBENZOXAZOLE CARBOXAMIDES AS 5HT3 MODULATORS AMR TECHNOLOGY, INC. (US) 2008-10-16 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 (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 3/4885MAOB 91/4885GAA 2943/4885

“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.