SCHEMBL3178673

SCHEMBL3178673

Cc1c(OCC2=NCCN2)ccc(Br)c1N

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 4/20 0.59
ADRA2A P08913 4/20 0.59
ADRA2B P18089 4/20 0.59
ADRA2C P18825 4/20 0.59
NISCH Q9Y2I1 11/20 0.56
ADRA1A P35348 9/20 0.51
ADRA1D P25100 3/20 0.47
ADRA1B P35368 3/20 0.47
MAOA P21397 2/20 0.47
MAOB P27338 2/20 0.47
CYP1A2 P05177 1/20 0.46
CYP2D6 P10635 1/20 0.46
THRB P10828 1/20 0.46
TSHR P16473 1/20 0.46
CYP2C19 P33261 1/20 0.46
THPO P40225 1/20 0.46
HSD17B10 Q99714 1/20 0.46

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
Hydrochloric Acid SCHEMBL9655718 0.80 HTR1A (0.72) HTR1AADRA2AADRA2BADRA2CNISCH
SCHEMBL5200474 0.77 ADRA1A (0.77) HTR1AADRA2AADRA2BADRA2CNISCH
SCHEMBL3176497 0.77 NISCH (0.59) HTR1AADRA2AADRA2BADRA2CNISCH
Hydrochloric Acid SCHEMBL5203525 0.77 ADRA1A (0.75) HTR1AADRA2AADRA2BADRA2CNISCH
SCHEMBL546268 0.75 NISCH (0.78) HTR1AADRA2AADRA2BADRA2CNISCH
Hydrochloric Acid SCHEMBL9654109 0.74 NISCH (0.76) HTR1AADRA2AADRA2BADRA2CNISCH
Hydrochloric Acid SCHEMBL9654820 0.72 NISCH (0.64) HTR1AADRA2AADRA2BADRA2CNISCH
Hydrochloric Acid SCHEMBL9655504 0.72 NISCH (0.64) HTR1AADRA2AADRA2BADRA2CNISCH
Hydrochloric Acid SCHEMBL9653926 0.71 NISCH (0.76) HTR1AADRA2AADRA2BADRA2CNISCH
Hydrochloric Acid SCHEMBL9655719 0.70 NISCH (0.62) HTR1AADRA2AADRA2BADRA2CNISCH

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 9 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
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-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 HTR1A 20/4885ADRA2A 61/4885ADRA2B 108/4885

“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.