SCHEMBL3178397

SCHEMBL3178397

Clc1ccc(CCC2=NCCN2)cc1

nearest known ligand 0.69

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.69
MAOB P27338 1/20 0.69
NISCH Q9Y2I1 1/20 0.69
HTR1D P28221 4/20 0.54
LMNA P02545 2/20 0.51
RECQL P46063 1/20 0.51
TAAR1 Q96RJ0 3/20 0.50
HTR1B P28222 1/20 0.49
CYP1A2 P05177 1/20 0.47
ADRA2A P08913 1/20 0.47
CYP2D6 P10635 1/20 0.47
TSHR P16473 1/20 0.47
ADRA2B P18089 1/20 0.47
ADRA2C P18825 1/20 0.47
ADRA1D P25100 1/20 0.47
ADRA1A P35348 1/20 0.47
ADRA1B P35368 1/20 0.47

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
SCHEMBL2869241 0.84 HTR1D (0.69) MAOAMAOBNISCHHTR1DLMNA
SCHEMBL4032937 0.82 MAOA (0.69) MAOAMAOBNISCHHTR1DLMNA
Hydrochloric Acid SCHEMBL4711895 0.82 MAOA (0.69) MAOAMAOBNISCHHTR1DLMNA
Phenyzoline SCHEMBL3172677 0.81 NISCH (1.00) MAOAMAOBNISCHHTR1DLMNA
Hydrochloric Acid SCHEMBL4711894 0.81 MAOA (0.67) MAOAMAOBNISCHHTR1DLMNA
SCHEMBL7012054 0.80 MAOA (0.57) MAOAMAOBNISCHHTR1DLMNA
SCHEMBL4033870 0.79 NISCH (0.69) MAOAMAOBNISCHHTR1DLMNA
SCHEMBL1362592 0.78 NISCH (0.65) MAOAMAOBNISCHHTR1DLMNA
SCHEMBL4032931 0.76 MAOA (0.59) MAOAMAOBNISCHHTR1DLMNA
Hydrochloric Acid SCHEMBL4714075 0.76 MAOA (0.59) MAOAMAOBNISCHHTR1DTAAR1

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 10 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
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 MAOA 67/4885MAOB 81/4885NISCH 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.