SCHEMBL2741589

SCHEMBL2741589

Clc1cccc(CCc2cnc[nH]2)c1

nearest known ligand 0.65

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 5/20 0.65
HRH3 Q9Y5N1 5/20 0.59
HRH4 Q9H3N8 4/20 0.59
DAO P14920 2/20 0.54
SSTR1 P30872 1/20 0.49
SSTR2 P30874 1/20 0.49
SSTR4 P31391 1/20 0.49
SSTR3 P32745 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
SCHEMBL2626810 0.85 HRH3 (0.65) TAAR1HRH3HRH4
SCHEMBL2741602 0.83 HRH3 (0.58) TAAR1HRH3HRH4DAO
SCHEMBL2741603 0.81 TAAR1 (0.65) TAAR1HRH3HRH4DAO
SCHEMBL2741604 0.80 HRH4 (0.68) TAAR1HRH3HRH4
SCHEMBL224745 0.79 TAAR1 (1.00) TAAR1HRH3HRH4
SCHEMBL2741586 0.77 TAAR1 (0.59) TAAR1HRH3HRH4DAOSSTR1
SCHEMBL2741585 0.77 TAAR1 (0.59) TAAR1HRH3HRH4DAOSSTR1
SCHEMBL12050856 0.76 TAAR1 (0.74) TAAR1DAO
SCHEMBL8214313 0.76 TAAR1 (0.74) TAAR1
SCHEMBL8963903 0.74 HRH3 (0.73) 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 1/4885HRH3 194/4885HRH4 142/4885
US-20120004230-A1 IMIDAZOLE DERIVATIVES TAAR1, TAAR5, TACR1 TAAR1 1/4885HRH3 194/4885HRH4 142/4885
US-20080146523-A1 IMIDAZOLE DERIVATIVES TAAR1, TAAR5, TACR1 TAAR1 1/4885HRH3 194/4885HRH4 142/4885

“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.