SCHEMBL3173185

SCHEMBL3173185

c1ccc(Cc2ccc(OCC3=NCCN3)cc2)cc1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NISCH Q9Y2I1 12/20 0.77
MAOA P21397 4/20 0.77
MAOB P27338 4/20 0.77
ADRA1A P35348 4/20 0.64
ADRA2A P08913 4/20 0.64
ADRA2B P18089 4/20 0.64
ADRA2C P18825 4/20 0.64
TAAR1 Q96RJ0 3/20 0.64
ADRA1D P25100 3/20 0.64
ADRA1B P35368 3/20 0.64
CYP2D6 P10635 3/20 0.64
CYP1A2 P05177 2/20 0.64
TSHR P16473 2/20 0.64
LMNA P02545 1/20 0.64
HTR1A P08908 3/20 0.54
NFKB1 P19838 1/20 0.51
THRB P10828 1/20 0.50
CYP2C19 P33261 1/20 0.50
THPO P40225 1/20 0.50
HSD17B10 Q99714 1/20 0.50

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
SCHEMBL3176723 0.91 NISCH (0.77) NISCHMAOAMAOBADRA1AADRA2A
SCHEMBL3168522 0.89 NISCH (0.73) NISCHMAOAMAOBADRA1AADRA2A
SCHEMBL546875 0.88 NISCH (1.00) NISCHMAOAMAOBADRA1AADRA2A
SCHEMBL3172398 0.87 NISCH (0.71) NISCHMAOAMAOBADRA1AADRA2A
Hydrochloric Acid SCHEMBL11259967 0.86 NISCH (0.97) NISCHMAOAMAOBADRA1AADRA2A
SCHEMBL3168475 0.85 NISCH (0.82) NISCHMAOAMAOBADRA1AADRA2A
SCHEMBL8063715 0.85 TAAR1 (0.61) NISCHMAOAMAOBADRA1AADRA2A
Phenyzoline SCHEMBL3671264 0.84 NISCH (0.80) NISCHMAOAMAOBADRA1AADRA2A
SCHEMBL27797881 0.81 NISCH (0.75) NISCHMAOAMAOBADRA1AADRA2A
SCHEMBL3168948 0.80 NISCH (0.73) NISCHMAOAMAOBADRA1AADRA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2173720-A2 2-IMIDAZOLINES HAVING A GOOD AFFINITY TO THE TRACE AMINE ASSOCIATED RECEPTORS (TAARS) F. Hoffmann-Roche AG (CH) 2010-04-14 EP claimed
CN-101687812-A The 2-imidazolinium compounds that trace amine associated receptors (TAAR) is had good affinity HOFFMANN LA ROCHE 2010-03-31 CN claimed
US-7652055-B2 2-imidazolines HOFFMAN-LA ROCHE INC. (US) 2010-01-26 US claimed
US-20090018180-A1 2-IMIDAZOLINES F. HOFFMANN-LA ROCHE AG (CH) 2009-01-15 US claimed
WO-2009003868-A2 2 -IMIDAZOLINES HAVING A GOOD AFFINITY TO THE TRACE AMINE ASSOCIATED RECEPTORS (TAARS) F. HOFFMANN-LA ROCHE AG (CH) 2009-01-08 WO claimed
EP-0971909-A1 LTA 4? HYDROLASE INHIBITORS G.D. SEARLE & CO. (US) 2000-01-19 EP claimed
WO-1998040370-A1 LTA4 HYDROLASE INHIBITORS G.D. SEARLE & CO. (US) 1998-09-17 WO claimed
EP-2173720-A2 2-IMIDAZOLINES HAVING A GOOD AFFINITY TO THE TRACE AMINE ASSOCIATED RECEPTORS (TAARS) F. Hoffmann-Roche AG (CH) 2010-04-14 EP disclosed
CN-101687812-A The 2-imidazolinium compounds that trace amine associated receptors (TAAR) is had good affinity HOFFMANN LA ROCHE 2010-03-31 CN disclosed
US-7652055-B2 2-imidazolines HOFFMAN-LA ROCHE INC. (US) 2010-01-26 US disclosed
US-7652055-B2 2-imidazolines HOFFMAN-LA ROCHE INC. (US) 2010-01-26 US disclosed
US-20090018180-A1 2-IMIDAZOLINES F. HOFFMANN-LA ROCHE AG (CH) 2009-01-15 US disclosed
US-20090018180-A1 2-IMIDAZOLINES F. HOFFMANN-LA ROCHE AG (CH) 2009-01-15 US disclosed
WO-2009003868-A2 2 -IMIDAZOLINES HAVING A GOOD AFFINITY TO THE TRACE AMINE ASSOCIATED RECEPTORS (TAARS) F. HOFFMANN-LA ROCHE AG (CH) 2009-01-08 WO disclosed
US-6110944-A AN ANTIINFLAMMATORY AGENT TREATING INFLAMMATORY BOWEL DISEASE G. D. SEARLE & CO. (US) 2000-08-29 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-20090018180-A1 2-IMIDAZOLINES TAAR1, TAAR5, NPY1R NISCH 2014/4885MAOA 67/4885MAOB 81/4885

“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.