SCHEMBL1846409

SCHEMBL1846409

c1ccc2c(CNc3ncc[nH]3)cccc2c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 1/20 0.56
ADRA2B P18089 1/20 0.56
ADRA2C P18825 1/20 0.56
LMNA P02545 2/20 0.51
MAPT P10636 2/20 0.51
ALDH1A1 P00352 1/20 0.51
PIK3CB P42338 4/20 0.50
PIK3CA P42336 3/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2C9 P11712 1/20 0.50
ACHE P22303 5/20 0.49
EGFR P00533 1/20 0.46
IGF1R P08069 1/20 0.46
FLT4 P35916 1/20 0.46
KDR P35968 1/20 0.46
MC5R P33032 1/20 0.46
MC1R Q01726 1/20 0.46
SOS1 Q07889 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
SCHEMBL1844758 0.78 ADRA2A (0.54) ADRA2AADRA2CLMNAMAPTALDH1A1
SCHEMBL1845121 0.78 LMNA (0.43) ADRA2AADRA2CLMNAALDH1A1
SCHEMBL1846157 0.78 MEN1 (0.45) ADRA2AADRA2CLMNAMAPTALDH1A1
SCHEMBL12660195 0.78 TAAR1 (0.46) ADRA2AADRA2BADRA2CALDH1A1PIK3CB
SCHEMBL22191089 0.77 MEN1 (0.57) LMNAMAPTALDH1A1MEN1KMT2A
SCHEMBL1846914 0.76 KMT2A (0.41) ADRA2AADRA2CALDH1A1KMT2ACYP2C9
SCHEMBL1844126 0.76 ADRA2A (0.55) ADRA2AADRA2CLMNAALDH1A1PIK3CB
SCHEMBL1848615 0.75 HSD17B10 (0.58) LMNAMAPTALDH1A1MEN1KMT2A
SCHEMBL1847393 0.74 SMN1; SMN2 (0.51) ADRA2AADRA2CLMNAALDH1A1MEN1
SCHEMBL2366649 0.73 ADRA2A (0.97) ADRA2AADRA2BADRA2CLMNAMAPT

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 13 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 disclosed
EP-2101762-B1 NOVEL 2 -IMIDAZOLES AS LIGANDS FOR TRACE AMINE ASSOCIATED RECEPTORS (TAAR) HOFFMANN LA ROCHE (CH) 2011-05-18 EP 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
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
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 84/4885ADRA2B 120/4885ADRA2C 13/4885

“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.