SCHEMBL225019

SCHEMBL225019

CCc1ccccc1CCc1c[nH]cn1

nearest known ligand 0.33

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.32
TAAR1 Q96RJ0 1/20 0.32
MAPT P10636 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
GABRA1 P14867 2/20 0.31
GABRB2 P47870 2/20 0.31
NISCH Q9Y2I1 1/20 0.31
ADRA2A P08913 1/20 0.31
ADRA2B P18089 1/20 0.31
ADRA2C P18825 1/20 0.31
HCAR1 Q9BXC0 1/20 0.31
PSIP1 O75475 1/20 0.31
PDK2 Q15119 1/20 0.30
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
MGLL Q99685 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
SCHEMBL10740522 0.85 TAAR1 (0.41) HTR1ATAAR1GABRA1GABRB2PDK2
SCHEMBL11047730 0.84 TAAR1 (0.36) HTR1ATAAR1MAPTNPSR1L3MBTL1
SCHEMBL10741610 0.83 TAAR1 (0.44) TAAR1MAPTADRA2AADRA2BADRA2C
SCHEMBL222967 0.79 KMT2A (0.45) TAAR1
SCHEMBL222961 0.79 AR (0.37) MAPTNPSR1L3MBTL1ALDH1A1
SCHEMBL15330689 0.79 KMT2A (0.36) ALDH1A1
SCHEMBL225124 0.79 TAAR1 (0.49) HTR1ATAAR1
SCHEMBL10743458 0.77 SLC6A2 (0.34) TAAR1MAPTALDH1A1
SCHEMBL31248590 0.77 SLC6A2 (0.34) TAAR1MAPTALDH1A1
SCHEMBL2102304 0.76 TAAR1 (0.49) HTR1ATAAR1GABRA1GABRB2PDK2

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 14 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 claimed
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
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
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
US-4684659-A Antimypertensive substituted imidazoles FARMOS-YHTYMA OY (FI) 1987-08-04 US disclosed
US-4568686-A Substituted imidazoles and their use FARMOS YHTYMA OY (FI) 1986-02-04 US disclosed
EP-0034473-B1 SUBSTITUTED IMIDAZOLES, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME Farmos-Yhtyma Oy (FI) 1983-09-21 EP disclosed
EP-0034473-A2 Substituted imidazoles, their preparation and pharmaceutical compositions containing the same Farmos-Yhtyma Oy (FI) 1981-08-26 EP 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 HTR1A 364/4885TAAR1 1/4885MAPT 1256/4885
US-20120004230-A1 IMIDAZOLE DERIVATIVES TAAR1, TAAR5, TACR1 HTR1A 364/4885TAAR1 1/4885MAPT 1256/4885
US-20080146523-A1 IMIDAZOLE DERIVATIVES TAAR1, TAAR5, TACR1 HTR1A 364/4885TAAR1 1/4885MAPT 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.