SCHEMBL3163433

SCHEMBL3163433

CCc1cccc(CC)c1OCC1=NCCN1

nearest known ligand 0.72

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ NISCH Q9Y2I1 13/20 0.72
▸ TAAR1 Q96RJ0 1/20 0.61
▸ ADRA2A P08913 5/20 0.60
▸ ADRA2B P18089 5/20 0.60
▸ ADRA2C P18825 5/20 0.60
▸ HTR1A P08908 4/20 0.60
▸ MAOA P21397 3/20 0.56
▸ MAOB P27338 3/20 0.56
▸ ADRA1A P35348 2/20 0.49
▸ ADRA1D P25100 1/20 0.49
▸ ADRA1B P35368 1/20 0.49

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 SCHEMBL9653926 0.82 NISCH (0.76) NISCHTAAR1ADRA2AADRA2BADRA2C
SCHEMBL3178923 0.78 NISCH (0.59) NISCHTAAR1ADRA2AADRA2BADRA2C
SCHEMBL953493 0.76 TAAR1 (1.00) NISCHTAAR1ADRA2AADRA2BADRA2C
SCHEMBL954681 0.74 TAAR1 (0.73) NISCHTAAR1ADRA2AADRA2BADRA2C
SCHEMBL3169446 0.74 HTR1D (0.61) NISCHADRA2AADRA2BADRA2CHTR1A
SCHEMBL3173211 0.74 NISCH (0.63) NISCHADRA2AADRA2BADRA2CHTR1A
Hydrochloric Acid SCHEMBL9655719 0.72 NISCH (0.62) NISCHADRA2AADRA2BADRA2CHTR1A
SCHEMBL546875 0.72 NISCH (1.00) NISCHTAAR1ADRA2AADRA2BADRA2C
SCHEMBL954630 0.72 TAAR1 (0.68) NISCHTAAR1ADRA2AADRA2BADRA2C
SCHEMBL546268 0.72 NISCH (0.78) NISCHADRA2AADRA2BADRA2CHTR1A

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 NISCH 2014/4885TAAR1 1/4885ADRA2A 61/4885

“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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