SCHEMBL3173130

SCHEMBL3173130

c1ccc(OCc2ccccc2OCC2=NCCN2)cc1

nearest known ligand 0.78

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ NISCH Q9Y2I1 13/20 0.78
▸ MAOA P21397 3/20 0.78
▸ MAOB P27338 3/20 0.78
▸ HTR1A P08908 6/20 0.67
▸ ADRA2A P08913 6/20 0.67
▸ ADRA2B P18089 6/20 0.67
▸ ADRA2C P18825 6/20 0.67
▸ ADRA1A P35348 4/20 0.63
▸ ADRA1D P25100 3/20 0.63
▸ ADRA1B P35368 3/20 0.63
▸ CYP1A2 P05177 1/20 0.58
▸ CYP2D6 P10635 1/20 0.58
▸ THRB P10828 1/20 0.58
▸ TSHR P16473 1/20 0.58
▸ CYP2C19 P33261 1/20 0.58
▸ THPO P40225 1/20 0.58
▸ HSD17B10 Q99714 1/20 0.58
▸ LMNA P02545 1/20 0.56

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
SCHEMBL546875 0.88 NISCH (1.00) NISCHMAOAMAOBHTR1AADRA2A
Hydrochloric Acid SCHEMBL11259967 0.87 NISCH (0.97) NISCHMAOAMAOBHTR1AADRA2A
SCHEMBL3168475 0.80 NISCH (0.82) NISCHMAOAMAOBHTR1AADRA2A
SCHEMBL28749857 0.80 NISCH (0.69) NISCHMAOAMAOBHTR1AADRA2A
Phenyzoline SCHEMBL3671264 0.79 NISCH (0.80) NISCHMAOAMAOBHTR1AADRA2A
SCHEMBL3679432 0.78 NISCH (0.64) NISCHMAOAMAOBHTR1AADRA2A
SCHEMBL17887926 0.77 NISCH (0.56) NISCHMAOAMAOBHTR1AADRA2A
SCHEMBL3176645 0.77 ADRA1A (1.00) NISCHMAOAMAOBHTR1AADRA2A
SCHEMBL3173185 0.77 NISCH (0.77) NISCHMAOAMAOBHTR1AADRA2A
SCHEMBL3176723 0.77 NISCH (0.77) NISCHMAOAMAOBHTR1AADRA2A

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 8 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 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-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
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

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.

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