SCHEMBL2741603

SCHEMBL2741603

Fc1cccc(CCc2cnc[nH]2)c1

nearest known ligand 0.65

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 4/20 0.65
CYP19A1 P11511 3/20 0.61
HRH3 Q9Y5N1 6/20 0.59
HRH4 Q9H3N8 4/20 0.59
DAO P14920 1/20 0.50
IDO1 P14902 1/20 0.49

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
SCHEMBL2741589 0.81 TAAR1 (0.65) TAAR1HRH3HRH4DAO
SCHEMBL2741585 0.80 TAAR1 (0.59) TAAR1CYP19A1HRH3HRH4DAO
SCHEMBL6028497 0.80 HRH3 (0.68) TAAR1CYP19A1HRH3HRH4
SCHEMBL224745 0.79 TAAR1 (1.00) TAAR1HRH3HRH4
SCHEMBL2741586 0.77 TAAR1 (0.59) TAAR1HRH3HRH4DAO
SCHEMBL2741587 0.77 DAO (0.56) TAAR1HRH3HRH4DAO
SCHEMBL3371633 0.76 TAAR1 (0.74) TAAR1DAOIDO1
SCHEMBL8963903 0.74 HRH3 (0.73) TAAR1HRH3HRH4
SCHEMBL2626808 0.74 CYP19A1 (0.56) TAAR1CYP19A1IDO1
SCHEMBL9829440 0.73 TAAR1 (0.53) 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 TAAR1 1/4885CYP19A1 2710/4885HRH3 194/4885
US-20120004230-A1 IMIDAZOLE DERIVATIVES TAAR1, TAAR5, TACR1 TAAR1 1/4885CYP19A1 2710/4885HRH3 194/4885
US-20080146523-A1 IMIDAZOLE DERIVATIVES TAAR1, TAAR5, TACR1 TAAR1 1/4885CYP19A1 2710/4885HRH3 194/4885

“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.