SCHEMBL2741587

SCHEMBL2741587

FC(F)(F)Oc1cccc(CCc2cnc[nH]2)c1

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DAO P14920 1/20 0.56
TAAR1 Q96RJ0 1/20 0.55
SSTR1 P30872 1/20 0.52
SSTR4 P31391 1/20 0.52
SSTR3 P32745 1/20 0.52
HRH3 Q9Y5N1 3/20 0.51
HRH4 Q9H3N8 2/20 0.51

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
SCHEMBL2741586 0.82 TAAR1 (0.59) DAOTAAR1SSTR1SSTR4SSTR3
SCHEMBL2741616 0.80 SCN10A (0.44) HRH3
SCHEMBL2741585 0.79 TAAR1 (0.59) DAOTAAR1SSTR1SSTR4SSTR3
SCHEMBL2741603 0.77 TAAR1 (0.65) DAOTAAR1HRH3HRH4
SCHEMBL2626851 0.76 HRH3 (0.52) TAAR1HRH3HRH4
SCHEMBL4013395 0.75 DAO (0.55) DAO
SCHEMBL1047407 0.75 CYP4F2 (0.56) DAO
SCHEMBL2741589 0.74 TAAR1 (0.65) DAOTAAR1SSTR1SSTR4SSTR3
SCHEMBL223600 0.73 DAO (0.50) DAO
SCHEMBL224745 0.72 TAAR1 (1.00) TAAR1HRH3HRH4

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
US-8399463-B2 Imidazole derivatives HOFFMANN-LA ROCHE INC. (US) 2013-03-19 US 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-20120004230-A1 IMIDAZOLE DERIVATIVES GALLEY GUIDO (DE) 2012-01-05 US disclosed
US-20100204233-A1 IMIDAZOLE DERIVATIVES GALLEY GUIDO 2010-08-12 US disclosed
US-20100204233-A1 IMIDAZOLE DERIVATIVES GALLEY GUIDO 2010-08-12 US 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
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 DAO 859/4885TAAR1 1/4885SSTR1 13/4885
US-20120004230-A1 IMIDAZOLE DERIVATIVES TAAR1, TAAR5, TACR1 DAO 859/4885TAAR1 1/4885SSTR1 13/4885
US-20080146523-A1 IMIDAZOLE DERIVATIVES TAAR1, TAAR5, TACR1 DAO 859/4885TAAR1 1/4885SSTR1 13/4885

“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.