SCHEMBL546009

SCHEMBL546009

Cc1cccc(C)c1OC(CCO)C1=NCCN1

nearest known ligand 0.63

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ADRA2A P08913 13/20 0.63
▸ ADRA2B P18089 13/20 0.63
▸ ADRA2C P18825 13/20 0.63
▸ NISCH Q9Y2I1 4/20 0.48
▸ HTR1A P08908 1/20 0.45
▸ SLC6A4 P31645 1/20 0.45
▸ ADRA1A P35348 1/20 0.45
▸ OPRK1 P41145 1/20 0.45
▸ KCNH2 Q12809 1/20 0.45
▸ MAOA P21397 4/20 0.42
▸ MAOB P27338 4/20 0.42
▸ HTR1D P28221 1/20 0.40
▸ TAAR1 Q96RJ0 1/20 0.40

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
SCHEMBL9202869 0.81 ADRA2A (0.61) ADRA2AADRA2BADRA2CNISCHHTR1A
SCHEMBL10979198 0.79 NISCH (0.43) ADRA2AADRA2BADRA2CNISCHHTR1A
SCHEMBL10035176 0.77 ADRA2A (1.00) ADRA2AADRA2BADRA2CNISCHHTR1A
SCHEMBL10976651 0.75 ADRA2A (0.52) ADRA2AADRA2BADRA2CNISCHMAOA
SCHEMBL545961 0.74 NISCH (0.52) ADRA2AADRA2BADRA2CNISCHHTR1A
SCHEMBL11352087 0.74 NISCH (0.52) ADRA2AADRA2BADRA2CNISCHHTR1A
Hydrochloric Acid SCHEMBL11346455 0.73 NISCH (0.51) ADRA2AADRA2BADRA2CNISCHHTR1A
SCHEMBL3961636 0.73 NISCH (0.50) ADRA2AADRA2BADRA2CNISCHHTR1A
SCHEMBL11224297 0.71 NISCH (0.54) ADRA2AADRA2BADRA2CNISCHHTR1A
Hydrochloric Acid SCHEMBL9654753 0.70 NISCH (0.53) ADRA2AADRA2BADRA2CNISCHHTR1A

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
US-8110593-B2 Phenoxymethyl imidazoline derivatives and their use as pesticides SYNGENTA CROP PROTECTION LLC (US) 2012-02-07 — — US claimed
US-20100120881-A1 CHEMICAL COMPOUNDS SYNGENTA CROP PROTECTION, INC. (US) 2010-05-13 — — US claimed
EP-2117310-A2 CHEMICAL COMPOUNDS Syngeta Participations AG (CH) 2009-11-18 — — EP claimed
WO-2008098657-A2 CHEMICAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2008-08-21 — — WO claimed
EP-1958507-A1 Chemical compounds Syngeta Participations AG (CH) 2008-08-20 — — EP claimed
US-8497293-B2 Haloalkylsubstituted aryloxyalkylimidazolines for use as pesticides SYNGENTA CROP PROTECTION LLC (US) 2013-07-30 — — US disclosed
US-8110593-B2 Phenoxymethyl imidazoline derivatives and their use as pesticides SYNGENTA CROP PROTECTION LLC (US) 2012-02-07 — — US disclosed
US-20110098331-A1 HALOALKYLSUBSTITUTED ARYLOXYALKYLIMIDAZOLINES FOR USE AS PESTICIDES SYNGENTA CROP PROTECTION, INC. (US) 2011-04-28 — — US disclosed
EP-2207421-B1 HALOALKYLSUBSTITUTED ARYLOXYALKYLIMIDAZOLINES FOR USE AS PESTICIDES SYNGENTA PARTICIPATIONS AG (CH) 2011-03-02 — — EP disclosed
EP-2207421-A1 HALOALKYLSUBSTITUTED ARYLOXYALKYLIMIDAZOLINES FOR USE AS PESTICIDES Syngenta Participations AG (CH) 2010-07-21 — — EP disclosed
US-20100120881-A1 CHEMICAL COMPOUNDS SYNGENTA CROP PROTECTION, INC. (US) 2010-05-13 — — US disclosed
EP-2117310-A2 CHEMICAL COMPOUNDS Syngeta Participations AG (CH) 2009-11-18 — — EP disclosed
WO-2009060174-A1 HALOALKYLSUBSTITUTED ARYLOXYALKYLIMIDAZOLINES FOR USE AS PESTICIDES SYNGENTA PARTICIPATIONS AG (CH) 2009-05-14 — — WO disclosed
WO-2008098657-A2 CHEMICAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2008-08-21 — — WO disclosed
EP-1958507-A1 Chemical compounds Syngeta Participations AG (CH) 2008-08-20 — — EP 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 (2 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-20110098331-A1 HALOALKYLSUBSTITUTED ARYLOXYALKYLIMIDAZOLINES FOR USE AS PESTICIDES ACHE, NISCH, DDT ADRA2A 872/4885ADRA2B 484/4885ADRA2C 439/4885
US-20100120881-A1 CHEMICAL COMPOUNDS AADAC, ACHE, ATL3 ADRA2A 1649/4885ADRA2B 2101/4885ADRA2C 525/4885

“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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