SCHEMBL223976

SCHEMBL223976

FC(F)(F)Oc1cccc(OCc2c[nH]cn2)c1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RXRA P19793 11/20 0.43
GRIN1 Q05586 11/20 0.43
GRIN2B Q13224 11/20 0.43
PPARG P37231 1/20 0.41
MRGPRX4 Q96LA9 1/20 0.39
MAOB P27338 1/20 0.38
XDH P47989 1/20 0.38
KCNH2 Q12809 1/20 0.37
SCN10A Q9Y5Y9 1/20 0.37
CYSLTR2 Q9NS75 1/20 0.37
CYSLTR1 Q9Y271 1/20 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
Water SCHEMBL27907306 0.99 RXRA (0.42) RXRAGRIN1GRIN2BPPARGMRGPRX4
SCHEMBL4387266 0.85 CHRM5 (0.37) RXRAGRIN1GRIN2B
SCHEMBL224970 0.83 LMNA (0.50) MRGPRX4MAOB
SCHEMBL223600 0.81 DAO (0.50)
SCHEMBL221820 0.78 LMNA (0.45) RXRAMAOB
SCHEMBL223663 0.77 RXRA (0.46) RXRA
SCHEMBL4427549 0.76 KCNH2 (0.55) MAOBKCNH2CYSLTR2CYSLTR1
SCHEMBL223576 0.74 APP (0.52) KCNH2
SCHEMBL5672965 0.74 XDH (0.51) XDHKCNH2SCN10A
SCHEMBL2741616 0.73 SCN10A (0.44) SCN10A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120004230-A1 IMIDAZOLE DERIVATIVES GALLEY GUIDO (DE) 2012-01-05 US claimed
US-20100204233-A1 IMIDAZOLE DERIVATIVES GALLEY GUIDO 2010-08-12 US claimed
US-20080146523-A1 IMIDAZOLE DERIVATIVES HOFFMANN-LA ROCHE INC. 2008-06-19 US claimed
CN-101578271-B 4-imidazolines as taar's ligands HOFFMANN LA ROCHE 2013-06-19 CN disclosed
US-8399463-B2 Imidazole derivatives HOFFMANN-LA ROCHE INC. (US) 2013-03-19 US disclosed
US-20120004230-A1 IMIDAZOLE DERIVATIVES GALLEY GUIDO (DE) 2012-01-05 US disclosed
US-20100204233-A1 IMIDAZOLE DERIVATIVES GALLEY GUIDO 2010-08-12 US disclosed
CN-101578271-A 4-imidazolines as TAAR's ligands HOFFMANN LA ROCHE (CH) 2009-11-11 CN disclosed
EP-2094668-A2 4-IMIDAZOLINES AS TAAR'S LIGANDS F. Hoffmann-Roche AG (CH) 2009-09-02 EP disclosed
WO-2008074679-A2 4-IMIDAZOLINES AS TAAR'S LIGANDS F. HOFFMANN-LA ROCHE AG (CH) 2008-06-26 WO disclosed
US-20080146523-A1 IMIDAZOLE DERIVATIVES HOFFMANN-LA ROCHE INC. 2008-06-19 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 (3 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-20100204233-A1 IMIDAZOLE DERIVATIVES TAAR1, TAAR5, TACR1 RXRA 1146/4885GRIN1 683/4885GRIN2B 728/4885
US-20120004230-A1 IMIDAZOLE DERIVATIVES TAAR1, TAAR5, TACR1 RXRA 1146/4885GRIN1 683/4885GRIN2B 728/4885
US-20080146523-A1 IMIDAZOLE DERIVATIVES TAAR1, TAAR5, TACR1 RXRA 1146/4885GRIN1 683/4885GRIN2B 728/4885

“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.