SCHEMBL221833

SCHEMBL221833

CCc1cccc(CC)c1OCc1c[nH]cn1

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 1/20 0.35
ADRA2B P18089 1/20 0.35
ADRA2C P18825 1/20 0.35
GABRA1 P14867 2/20 0.33
GABRB2 P47870 2/20 0.33
HTR1A P08908 1/20 0.33
TAAR1 Q96RJ0 1/20 0.33
NISCH Q9Y2I1 1/20 0.33
PDK2 Q15119 1/20 0.32
ALDH1A1 P00352 1/20 0.31
POLB P06746 1/20 0.31
MAPT P10636 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
ELANE P08246 1/20 0.30

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 SCHEMBL27907302 0.98 ADRA2A (0.34) ADRA2AADRA2BADRA2CGABRA1GABRB2
SCHEMBL222619 0.83 NISCH (0.50) ADRA2AADRA2BADRA2CHTR1ANISCH
SCHEMBL224838 0.80 ALDH1A1 (0.48) ALDH1A1POLBMAPTNPSR1
SCHEMBL2102304 0.77 TAAR1 (0.49) GABRA1GABRB2HTR1ATAAR1PDK2
SCHEMBL10740522 0.75 TAAR1 (0.41) GABRA1GABRB2HTR1ATAAR1PDK2
SCHEMBL11047730 0.75 TAAR1 (0.36) GABRA1GABRB2HTR1ATAAR1NISCH
SCHEMBL225019 0.73 HTR1A (0.32) ADRA2AADRA2BADRA2CGABRA1GABRB2
SCHEMBL10883596 0.73 KCNH2 (0.39) GABRA1GABRB2HTR1ATAAR1ALDH1A1
SCHEMBL2102247 0.72 TAAR1 (0.41) GABRA1GABRB2HTR1ATAAR1
SCHEMBL6358732 0.72 ALDH1A1 (0.38) ADRA2AADRA2BADRA2CHTR1AALDH1A1

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 ADRA2A 82/4885ADRA2B 102/4885ADRA2C 52/4885
US-20120004230-A1 IMIDAZOLE DERIVATIVES TAAR1, TAAR5, TACR1 ADRA2A 82/4885ADRA2B 102/4885ADRA2C 52/4885
US-20080146523-A1 IMIDAZOLE DERIVATIVES TAAR1, TAAR5, TACR1 ADRA2A 82/4885ADRA2B 102/4885ADRA2C 52/4885

“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.