SCHEMBL1004932

SCHEMBL1004932

C[C@H]1CN(Cc2ccccc2)C(=O)[C@H](C)N1c1nc2c(C(=O)O)cccc2o1.[LiH]

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 9/20 0.43
CYP2C19 P33261 1/20 0.40
KCNH2 Q12809 1/20 0.40
BRD4 O60885 1/20 0.38
CACNA1G O43497 6/20 0.37
CACNA1H O95180 6/20 0.37
CACNA1I Q9P0X4 6/20 0.37
CCKBR P32239 2/20 0.36

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
SCHEMBL3981692 1.00 HTR3A (0.43) HTR3ACYP2C19KCNH2BRD4CACNA1G
SCHEMBL1005833 0.99 HTR3A (0.43) HTR3ACYP2C19KCNH2BRD4CACNA1G
SCHEMBL3980956 0.99 HTR3A (0.43) HTR3ACYP2C19KCNH2BRD4CACNA1G
Lithium Ion SCHEMBL1004930 0.92 HTR3A (0.42) HTR3ACYP2C19KCNH2BRD4CACNA1G
SCHEMBL1003744 0.90 HTR3A (0.43) HTR3ACYP2C19KCNH2BRD4CACNA1G
SCHEMBL1005851 0.85 HTR3A (0.50) HTR3ACYP2C19KCNH2
SCHEMBL3990768 0.85 HTR3A (0.50) HTR3ACYP2C19KCNH2
SCHEMBL1005782 0.83 HTR3A (0.47) HTR3ACYP2C19KCNH2
SCHEMBL1005784 0.83 HTR3A (0.68) HTR3AKCNH2
SCHEMBL1005786 0.83 HTR3A (0.68) 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-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 3/4885CYP2C19 169/4885KCNH2 1871/4885

“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.