SCHEMBL222619

SCHEMBL222619

CCc1ccccc1OCc1c[nH]cn1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NISCH Q9Y2I1 3/20 0.50
L3MBTL1 Q9Y468 5/20 0.46
MAPT P10636 2/20 0.46
NPSR1 Q6W5P4 1/20 0.46
HPGD P15428 1/20 0.41
ATM Q13315 1/20 0.41
KDM4E B2RXH2 2/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
HTR1A P08908 5/20 0.39
DRD2 P14416 3/20 0.39
ABCB1 P08183 2/20 0.39
ADRA2A P08913 3/20 0.39
ADRA2B P18089 3/20 0.39
ADRA2C P18825 3/20 0.39
GAA P10253 1/20 0.37
TSHR P16473 1/20 0.36
HSD17B10 Q99714 1/20 0.36
SLC6A2 P23975 2/20 0.35
SLC6A4 P31645 2/20 0.35

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
SCHEMBL6358732 0.85 ALDH1A1 (0.38) L3MBTL1MEN1KMT2AHTR1ADRD2
SCHEMBL221833 0.83 ADRA2A (0.35) NISCHL3MBTL1MAPTNPSR1HTR1A
SCHEMBL225156 0.82 MAOA (0.52) NISCHL3MBTL1HPGDHTR1ADRD2
Water SCHEMBL27907302 0.81 ADRA2A (0.34) NISCHHTR1AADRA2AADRA2BADRA2C
SCHEMBL226843 0.81 NISCH (0.48) NISCHL3MBTL1MAPTHPGDKDM4E
SCHEMBL223566 0.81 ALDH1A1 (0.50) L3MBTL1MAPTHPGDATMMEN1
SCHEMBL224554 0.78 LTA4H (0.50) L3MBTL1MAPTHTR1ADRD2ABCB1
SCHEMBL224611 0.78 TP53 (0.45) L3MBTL1MAPTHPGDKDM4EMEN1
SCHEMBL224876 0.78 MEN1 (0.44) L3MBTL1KDM4EMEN1KMT2A
SCHEMBL224997 0.78 GAA (0.47) MAPTHPGDATMDRD2GAA

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 NISCH 720/4885L3MBTL1 4877/4885MAPT 1256/4885
US-20120004230-A1 IMIDAZOLE DERIVATIVES TAAR1, TAAR5, TACR1 NISCH 720/4885L3MBTL1 4877/4885MAPT 1256/4885
US-20080146523-A1 IMIDAZOLE DERIVATIVES TAAR1, TAAR5, TACR1 NISCH 720/4885L3MBTL1 4877/4885MAPT 1256/4885

“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.