SCHEMBL1004904

SCHEMBL1004904

COC(=O)c1cccc2oc(=O)[nH]c12

nearest known ligand 0.60

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 13/20 0.60
EPHX2 P34913 4/20 0.52
CREBBP Q92793 1/20 0.49
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
HPGD P15428 1/20 0.47

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
SCHEMBL1005404 0.83 PSMB8 (0.56) GRM5KDM4EALDH1A1HPGD
4-Acetyl-2-Benzoxazolinone SCHEMBL3546681 0.82 GRM5 (0.64) GRM5EPHX2KDM4E
SCHEMBL15295603 0.82 PIM1 (0.48) GRM5CREBBPKDM4EALDH1A1HPGD
SCHEMBL2482363 0.80 GRM5 (0.66) GRM5EPHX2
SCHEMBL1005732 0.79 GRM5 (0.64) GRM5EPHX2
Lithium Ion SCHEMBL1005730 0.78 GRM5 (0.58) GRM5EPHX2
SCHEMBL16174269 0.75 CREBBP (0.49) CREBBPKDM4EALDH1A1HPGD
SCHEMBL2149816 0.73 PSMB8 (0.65) GRM5EPHX2KDM4EALDH1A1HPGD
SCHEMBL4504381 0.73 CREBBP (0.47) CREBBPKDM4EALDH1A1HPGD
SCHEMBL15567238 0.73 KDM4E (0.43) GRM5EPHX2CREBBPKDM4EALDH1A1

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2320906-B1 HETEROCYCLIC AMIDE DERIVATIVES AS EP4 RECEPTOR ANTAGONISTS BETA PHARMA CANADA INC (CA) 2016-02-24 EP disclosed
US-8404736-B2 Heterocyclic amide derivatives as EP4 receptor antagonists BETA PHARMA CANADA INC. (CA) 2013-03-26 US disclosed
US-8404736-B2 Heterocyclic amide derivatives as EP4 receptor antagonists BETA PHARMA CANADA INC. (CA) 2013-03-26 US disclosed
US-20110136887-A1 Heterocyclic Amide Derivatives as EP4 Receptor Antagonists BETA PHARMA CANADA INC. (CA) 2011-06-09 US disclosed
US-7863271-B2 2-aminobenzoxazole carboxamides as 5HT3 modulators ALBANY MOLECULAR RESEARCH, INC. (US) 2011-01-04 US disclosed
WO-2010019796-A1 HETEROCYCLIC AMIDE DERIVATIVES AS EP4 RECEPTOR ANTAGONISTS CHEMIETEK, LLC (US) 2010-02-18 WO 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 (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-20080255114-A1 2-AMINOBENZOXAZOLE CARBOXAMIDES AS 5HT3 MODULATORS HTR3E, HTR3C, HTR3A GRM5 237/4885EPHX2 3170/4885CREBBP 2196/4885
US-20110136887-A1 Heterocyclic Amide Derivatives as EP4 Receptor Antagonists PTGER4, PTGER1, PTGER2 GRM5 429/4885EPHX2 126/4885CREBBP 437/4885

“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.