SCHEMBL545961

SCHEMBL545961

Cc1cccc(OC(CCF)C2=NCCN2)c1C

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ NISCH Q9Y2I1 4/20 0.52
▸ ADRA2A P08913 14/20 0.50
▸ ADRA2B P18089 14/20 0.50
▸ ADRA2C P18825 14/20 0.50
▸ MAOA P21397 1/20 0.44
▸ MAOB P27338 1/20 0.44
▸ HTR1A P08908 2/20 0.42

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
SCHEMBL11352087 0.90 NISCH (0.52) NISCHADRA2AADRA2BADRA2CMAOA
Hydrochloric Acid SCHEMBL11346455 0.89 NISCH (0.51) NISCHADRA2AADRA2BADRA2CMAOA
SCHEMBL11224297 0.87 NISCH (0.54) NISCHADRA2AADRA2BADRA2CMAOA
Hydrochloric Acid SCHEMBL9654753 0.86 NISCH (0.53) NISCHADRA2AADRA2BADRA2CMAOA
SCHEMBL545847 0.83 NISCH (0.50) NISCHADRA2AADRA2BADRA2CMAOA
SCHEMBL545845 0.83 NISCH (0.50) NISCHADRA2AADRA2BADRA2CMAOA
Hydrochloric Acid SCHEMBL9654915 0.79 NISCH (0.77) NISCHADRA2AADRA2BADRA2CMAOA
SCHEMBL3961636 0.78 NISCH (0.50) NISCHADRA2AADRA2BADRA2CMAOA
SCHEMBL11377087 0.78 ADRA2A (0.52) NISCHADRA2AADRA2BADRA2CMAOA
SCHEMBL10979198 0.77 NISCH (0.43) NISCHADRA2AADRA2BADRA2CMAOA

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 5 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 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-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 (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-20100120881-A1 CHEMICAL COMPOUNDS AADAC, ACHE, ATL3 NISCH 4/4885ADRA2A 1649/4885ADRA2B 2101/4885

“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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