SCHEMBL3169152

SCHEMBL3169152

Clc1cccc(NCC2=NCCN2)c1

nearest known ligand 0.70

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAOA P21397 2/20 0.68
MAOB P27338 2/20 0.68
NISCH Q9Y2I1 1/20 0.68
ADRA2C P18825 11/20 0.57
ADRA2B P18089 8/20 0.57
ADRA1D P25100 13/20 0.55
ADRA1A P35348 13/20 0.55
ADRA1B P35368 11/20 0.55
ADRA2A P08913 8/20 0.55
TAAR1 Q96RJ0 1/20 0.48
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 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
SCHEMBL11163458 0.82 NISCH (0.68) MAOAMAOBNISCHADRA2CADRA2B
SCHEMBL3173010 0.81 MAOA (0.71) MAOAMAOBNISCHADRA2CADRA2B
Hydrochloric Acid SCHEMBL11164250 0.81 NISCH (0.66) MAOAMAOBNISCHADRA2CADRA2B
Phenamazoline SCHEMBL936813 0.81 MAOA (1.00) MAOAMAOBNISCHADRA2CADRA2B
SCHEMBL11259524 0.81 MAOA (0.60) MAOAMAOBNISCHADRA2CADRA2B
Hydrochloric Acid SCHEMBL11254132 0.79 MAOA (0.59) MAOAMAOBNISCHADRA2CADRA2B
SCHEMBL11257533 0.79 MAOA (0.62) MAOAMAOBNISCHADRA2CADRA2B
Hydrochloric Acid SCHEMBL11259136 0.78 MAOA (0.61) MAOAMAOBNISCHADRA2CADRA2B
SCHEMBL29920874 0.77 MAOA (0.56) MAOAMAOBNISCHADRA2CADRA2B
SCHEMBL3172126 0.77 MAOA (0.56) MAOAMAOBNISCHADRA2CADRA2B

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 16 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 claimed
CN-101687812-A The 2-imidazolinium compounds that trace amine associated receptors (TAAR) is had good affinity HOFFMANN LA ROCHE 2010-03-31 CN claimed
US-20090018180-A1 2-IMIDAZOLINES F. HOFFMANN-LA ROCHE AG (CH) 2009-01-15 US claimed
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 claimed
US-20190201410-A1 TRACE AMINE ASSOCIATED RECEPTOR 1 AGONISTS AND PARTIAL AGONISTS FOR PAIN TREATMENT PURDUE PHARMA L.P. (US) 2019-07-04 US disclosed
EP-3463359-A1 TRACE AMINE ASSOCIATED RECEPTOR 1 AGONISTS AND PARTIAL AGONISTS FOR PAIN TREATMENT Purdue Pharma LP (US) 2019-04-10 EP disclosed
WO-2017210616-A1 TRACE AMINE ASSOCIATED RECEPTOR 1 AGONISTS AND PARTIAL AGONISTS FOR PAIN TREATMENT PURDUE PHARMA L.P. (US) 2017-12-07 WO disclosed
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 (2 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
US-20190201410-A1 TRACE AMINE ASSOCIATED RECEPTOR 1 AGONISTS AND PARTIAL AGONISTS FOR PAIN TREATMENT TAAR1, TAAR5, OPRL1 MAOA 300/4885MAOB 413/4885NISCH 2672/4885

“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.