SCHEMBL1004886

SCHEMBL1004886

CCC1CN(Cc2ccccc2)CCN1c1nc2c(C(=O)O)cccc2o1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 5/20 0.46
GSK3B P49841 1/20 0.42
GRIN2B Q13224 1/20 0.38
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
CA4 P22748 2/20 0.38
CA9 Q16790 2/20 0.38
KDM4E B2RXH2 1/20 0.38
NR1H4 Q96RI1 1/20 0.38
HTR6 P50406 1/20 0.38
PPARG P37231 2/20 0.37
PPARD Q03181 2/20 0.37
PPARA Q07869 2/20 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
SCHEMBL1004885 1.00 HTR3A (0.46) HTR3AGSK3BGRIN2BCA1CA2
SCHEMBL1005791 0.91 HTR3A (0.45) HTR3AGSK3BKDM4E
SCHEMBL1005792 0.91 HTR3A (0.45) HTR3AGSK3BKDM4E
SCHEMBL1004189 0.90 HTR3A (0.48) HTR3AGRIN2BCA1CA2CA4
SCHEMBL1004188 0.90 HTR3A (0.48) HTR3AGRIN2BCA1CA2CA4
SCHEMBL1006088 0.86 HTR3A (0.45) HTR3ANR1H4HTR6PPARGPPARD
SCHEMBL1006086 0.86 HTR3A (0.45) HTR3ANR1H4HTR6PPARGPPARD
SCHEMBL1006865 0.82 HTR3A (0.73) HTR3A
SCHEMBL1005673 0.81 HTR3A (0.48) HTR3AKDM4EPPARGPPARD
SCHEMBL1005672 0.81 HTR3A (0.48) HTR3AKDM4EPPARGPPARD

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 3/4885GSK3B 2051/4885GRIN2B 97/4885

“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.