SCHEMBL1844758

SCHEMBL1844758

Clc1ccccc1CNc1ncc[nH]1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 2/20 0.54
ADRA2C P18825 2/20 0.54
ADRA1D P25100 2/20 0.54
ADRA1A P35348 2/20 0.54
ADRA1B P35368 2/20 0.54
LMNA P02545 1/20 0.48
ALOX15 P16050 1/20 0.48
HTT P42858 1/20 0.48
FABP4 P15090 1/20 0.45
POLB P06746 2/20 0.43
HDAC3 O15379 2/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
ALDH1A1 P00352 1/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
MAPK1 P28482 2/20 0.43
HPGD P15428 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL1844126 0.88 ADRA2A (0.55) ADRA2AADRA2CADRA1DADRA1AADRA1B
SCHEMBL1845396 0.83 ADRA2A (0.62) ADRA2AADRA2CADRA1DADRA1AADRA1B
SCHEMBL1846157 0.81 MEN1 (0.45) ADRA2AADRA2CADRA1DADRA1AADRA1B
SCHEMBL1845121 0.81 LMNA (0.43) ADRA2AADRA2CADRA1DADRA1AADRA1B
SCHEMBL12660195 0.81 TAAR1 (0.46) ADRA2AADRA2CADRA1DADRA1AADRA1B
SCHEMBL1846184 0.80 TAAR1 (0.50) ADRA2AADRA2CADRA1DADRA1AADRA1B
SCHEMBL1846409 0.78 ADRA2A (0.56) ADRA2AADRA2CLMNAALDH1A1CYP3A4
SCHEMBL1848615 0.77 HSD17B10 (0.58) LMNAALOX15HDAC3HDAC1HDAC2
SCHEMBL1847393 0.76 SMN1; SMN2 (0.51) ADRA2AADRA2CADRA1DADRA1AADRA1B
SCHEMBL1846914 0.75 KMT2A (0.41) 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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101557810-B Novel 2 -imidazoles as ligands for trace amine associated receptors (taar) HOFFMANN LA ROCHE 2012-11-21 CN claimed
CN-101557810-A Novel 2 -imidazoles as ligands for trace amine associated receptors (taar) HOFFMANN LA ROCHE (CH) 2009-10-14 CN claimed
EP-2101762-A1 NOVEL 2 -IMIDAZOLES AS LIGANDS FOR TRACE AMINE ASSOCIATED RECEPTORS (TAAR) F. Hoffmann-Roche AG (CH) 2009-09-23 EP claimed
WO-2008071574-A1 NOVEL 2 -IMIDAZOLES AS LIGANDS FOR TRACE AMINE ASSOCIATED RECEPTORS (TAAR) F. HOFFMANN-LA ROCHE AG (CH) 2008-06-19 WO claimed
US-20080146634-A1 2-IMIDAZOLES HOFFMANN-LA ROCHE INC. 2008-06-19 US claimed
CN-101557810-B Novel 2 -imidazoles as ligands for trace amine associated receptors (taar) HOFFMANN LA ROCHE 2012-11-21 CN disclosed
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
CN-101557810-A Novel 2 -imidazoles as ligands for trace amine associated receptors (taar) HOFFMANN LA ROCHE (CH) 2009-10-14 CN 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

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.