SCHEMBL3169446

SCHEMBL3169446

Cc1ccc(C)c(OCC2=NCCN2)c1C

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 3/20 0.61
HTR1B P28222 3/20 0.61
NISCH Q9Y2I1 10/20 0.60
MAOA P21397 2/20 0.54
MAOB P27338 2/20 0.54
HTR1A P08908 2/20 0.49
ADRA2A P08913 2/20 0.49
ADRA2B P18089 2/20 0.49
ADRA2C P18825 2/20 0.49
ADRA1A P35348 6/20 0.48
ADRA1D P25100 2/20 0.48
ADRA1B P35368 2/20 0.48

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
SCHEMBL3671905 0.89 HTR1D (0.55) HTR1DHTR1BNISCHMAOAMAOB
SCHEMBL546268 0.79 NISCH (0.78) NISCHMAOAMAOBHTR1AADRA2A
Hydrochloric Acid SCHEMBL9654109 0.78 NISCH (0.76) NISCHMAOAMAOBHTR1AADRA2A
SCHEMBL3169165 0.77 HTR1D (0.61) HTR1DHTR1BNISCHMAOAMAOB
SCHEMBL7981523 0.76 HTR1D (0.62) HTR1DHTR1BNISCHMAOAMAOB
SCHEMBL3176497 0.75 NISCH (0.59) HTR1DHTR1BNISCHMAOAMAOB
SCHEMBL3163433 0.74 NISCH (0.72) NISCHMAOAMAOBHTR1AADRA2A
SCHEMBL3178923 0.73 NISCH (0.59) NISCHMAOAMAOBHTR1AADRA2A
SCHEMBL3170332 0.73 NISCH (0.61) HTR1DHTR1BNISCHMAOAMAOB
Hydrochloric Acid SCHEMBL9652275 0.71 ADRA2C (0.58) HTR1DHTR1BNISCHMAOAMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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-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 HTR1D 27/4885HTR1B 52/4885NISCH 2014/4885

“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.