SCHEMBL3168522

SCHEMBL3168522

c1ccc(CCCc2ccc(OCC3=NCCN3)cc2)cc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NISCH Q9Y2I1 11/20 0.73
▸ MAOA P21397 4/20 0.73
▸ MAOB P27338 4/20 0.73
▸ ADRA2A P08913 5/20 0.53
▸ ADRA2B P18089 5/20 0.53
▸ ADRA2C P18825 5/20 0.53
▸ ADRA1A P35348 5/20 0.53
▸ ADRA1B P35368 4/20 0.53
▸ ADRA1D P25100 3/20 0.53
▸ TAAR1 Q96RJ0 2/20 0.53
▸ CYP1A2 P05177 2/20 0.53
▸ CYP2D6 P10635 2/20 0.53
▸ TSHR P16473 2/20 0.53
▸ LMNA P02545 1/20 0.53
▸ HTR1A P08908 4/20 0.51
▸ HTR1D P28221 1/20 0.49
▸ LTA4H P09960 1/20 0.49
▸ EPHX2 P34913 1/20 0.49
▸ THRB P10828 1/20 0.48
▸ CYP2C19 P33261 1/20 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
SCHEMBL3176723 0.94 NISCH (0.77) NISCHMAOAMAOBADRA2AADRA2B
SCHEMBL3173185 0.89 NISCH (0.77) NISCHMAOAMAOBADRA2AADRA2B
Phenyzoline SCHEMBL3671264 0.87 NISCH (0.80) NISCHMAOAMAOBADRA2AADRA2B
SCHEMBL546875 0.85 NISCH (1.00) NISCHMAOAMAOBADRA2AADRA2B
Hydrochloric Acid SCHEMBL11259967 0.84 NISCH (0.97) NISCHMAOAMAOBADRA2AADRA2B
SCHEMBL3168475 0.82 NISCH (0.82) NISCHMAOAMAOBADRA2AADRA2B
SCHEMBL9575326 0.82 NISCH (0.80) NISCHMAOAMAOBADRA2AADRA2B
SCHEMBL17887925 0.81 NISCH (0.68) NISCHMAOAMAOBADRA2AADRA2B
SCHEMBL8063715 0.80 TAAR1 (0.61) NISCHMAOAMAOBADRA2AADRA2B
SCHEMBL27797881 0.79 NISCH (0.75) NISCHMAOAMAOBADRA2AADRA2B

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 14 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
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
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
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
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 (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 NISCH 2014/4885MAOA 67/4885MAOB 81/4885
US-20190201410-A1 TRACE AMINE ASSOCIATED RECEPTOR 1 AGONISTS AND PARTIAL AGONISTS FOR PAIN TREATMENT TAAR1, TAAR5, OPRL1 NISCH 2672/4885MAOA 300/4885MAOB 413/4885

“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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