SCHEMBL1845396

SCHEMBL1845396

Clc1cccc(Cl)c1CNc1ncc[nH]1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 2/20 0.62
ADRA2C P18825 2/20 0.62
ADRA1D P25100 2/20 0.62
ADRA1A P35348 2/20 0.62
ADRA1B P35368 2/20 0.62
TAAR1 Q96RJ0 3/20 0.56
F2RL1 P55085 2/20 0.42
HDAC3 O15379 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
KDM4E B2RXH2 3/20 0.40
ALDH1A1 P00352 1/20 0.40
PLA2G1B P04054 1/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
HTT P42858 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ATG4B Q9Y4P1 1/20 0.40
PIK3CA P42336 1/20 0.38

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
SCHEMBL1846184 0.89 TAAR1 (0.50) ADRA2AADRA2CADRA1DADRA1AADRA1B
SCHEMBL1844126 0.84 ADRA2A (0.55) ADRA2AADRA2CADRA1DADRA1AADRA1B
SCHEMBL1844758 0.83 ADRA2A (0.54) ADRA2AADRA2CADRA1DADRA1AADRA1B
SCHEMBL1846323 0.81 TAAR1 (0.54) ADRA2AADRA2CADRA1DADRA1AADRA1B
SCHEMBL1844588 0.78 GRM4 (0.51) ADRA2AADRA2CADRA1DADRA1AADRA1B
SCHEMBL13767327 0.77 ADRA2A (1.00) ADRA2AADRA2CADRA1DADRA1AADRA1B
SCHEMBL1845716 0.76 POLB (0.51) ADRA2AADRA2CADRA1DADRA1AADRA1B
SCHEMBL1845617 0.76 PTGES (0.46) ADRA2AADRA2CADRA1DADRA1AADRA1B
SCHEMBL1847393 0.75 SMN1; SMN2 (0.51) ADRA2AADRA2CADRA1DADRA1AADRA1B
Hydrochloric Acid SCHEMBL4058159 0.75 ADRA2A (0.96) ADRA2AADRA2CADRA1DADRA1AADRA1B

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080146634-A1 2-IMIDAZOLES HOFFMANN-LA ROCHE INC. 2008-06-19 US claimed
EP-2101762-B1 NOVEL 2 -IMIDAZOLES AS LIGANDS FOR TRACE AMINE ASSOCIATED RECEPTORS (TAAR) HOFFMANN LA ROCHE (CH) 2011-05-18 EP disclosed
US-7858653-B2 2-imidazoles HOFFMAN-LA ROCHE INC. (US) 2010-12-28 US disclosed
US-7858653-B2 2-imidazoles HOFFMAN-LA ROCHE INC. (US) 2010-12-28 US disclosed
US-7858653-B2 2-imidazoles HOFFMAN-LA ROCHE INC. (US) 2010-12-28 US disclosed
EP-2101762-A1 NOVEL 2 -IMIDAZOLES AS LIGANDS FOR TRACE AMINE ASSOCIATED RECEPTORS (TAAR) F. Hoffmann-Roche AG (CH) 2009-09-23 EP disclosed
WO-2008071574-A1 NOVEL 2 -IMIDAZOLES AS LIGANDS FOR TRACE AMINE ASSOCIATED RECEPTORS (TAAR) F. HOFFMANN-LA ROCHE AG (CH) 2008-06-19 WO disclosed
US-20080146634-A1 2-IMIDAZOLES HOFFMANN-LA ROCHE INC. 2008-06-19 US disclosed
US-20080146634-A1 2-IMIDAZOLES HOFFMANN-LA ROCHE INC. 2008-06-19 US disclosed
US-20080146634-A1 2-IMIDAZOLES 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 (1 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-20080146634-A1 2-IMIDAZOLES ABL1, H1-2, IPO4 ADRA2A 84/4885ADRA2C 13/4885ADRA1D 171/4885

“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.