SCHEMBL2741604

SCHEMBL2741604

Clc1ccc(CCc2cnc[nH]2)cc1

nearest known ligand 0.68

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 4/20 0.68
HRH3 Q9Y5N1 4/20 0.68
TAAR1 Q96RJ0 1/20 0.68

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
SCHEMBL194703 0.82 HRH3 (0.71) HRH4HRH3
SCHEMBL2741602 0.81 HRH3 (0.58) HRH4HRH3TAAR1
SCHEMBL6028497 0.81 HRH3 (0.68) HRH4HRH3TAAR1
SCHEMBL224745 0.81 TAAR1 (1.00) HRH4HRH3TAAR1
SCHEMBL2741589 0.80 TAAR1 (0.65) HRH4HRH3TAAR1
SCHEMBL8963903 0.79 HRH3 (0.73) HRH4HRH3TAAR1
SCHEMBL14189393 0.78 TAAR1 (0.64) TAAR1
SCHEMBL4321538 0.78 HRH3 (0.68) HRH4HRH3TAAR1
SCHEMBL8303655 0.77 HRH3 (0.67) HRH4HRH3TAAR1
SCHEMBL7468703 0.77 HRH3 (0.73) HRH4HRH3TAAR1

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 HRH4 142/4885HRH3 194/4885TAAR1 1/4885
US-20120004230-A1 IMIDAZOLE DERIVATIVES TAAR1, TAAR5, TACR1 HRH4 142/4885HRH3 194/4885TAAR1 1/4885
US-20080146523-A1 IMIDAZOLE DERIVATIVES TAAR1, TAAR5, TACR1 HRH4 142/4885HRH3 194/4885TAAR1 1/4885

“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.