SCHEMBL546875

SCHEMBL546875

c1ccc(OCC2=NCCN2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NISCH Q9Y2I1 12/20 1.00
MAOA P21397 3/20 1.00
MAOB P27338 3/20 1.00
ADRA1A P35348 5/20 0.63
ADRA1D P25100 4/20 0.63
ADRA1B P35368 4/20 0.63
ADRA2A P08913 6/20 0.62
ADRA2B P18089 6/20 0.62
ADRA2C P18825 6/20 0.62
HTR1A P08908 5/20 0.62
CYP1A2 P05177 2/20 0.57
CYP2D6 P10635 2/20 0.57
TSHR P16473 2/20 0.57
THRB P10828 1/20 0.57
CYP2C19 P33261 1/20 0.57
THPO P40225 1/20 0.57
HSD17B10 Q99714 1/20 0.57
LMNA P02545 2/20 0.56
TAAR1 Q96RJ0 1/20 0.56

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 SCHEMBL11259967 0.98 NISCH (0.97) NISCHMAOAMAOBADRA1AADRA1D
SCHEMBL3168475 0.90 NISCH (0.82) NISCHMAOAMAOBADRA1AADRA1D
Phenyzoline SCHEMBL3671264 0.89 NISCH (0.80) NISCHMAOAMAOBADRA1AADRA1D
SCHEMBL3173130 0.88 NISCH (0.78) NISCHMAOAMAOBADRA1AADRA1D
SCHEMBL3173185 0.88 NISCH (0.77) NISCHMAOAMAOBADRA1AADRA1D
SCHEMBL3176723 0.88 NISCH (0.77) NISCHMAOAMAOBADRA1AADRA1D
SCHEMBL27797881 0.86 NISCH (0.75) NISCHMAOAMAOBADRA1AADRA1D
SCHEMBL3168522 0.85 NISCH (0.73) NISCHMAOAMAOBADRA1AADRA1D
SCHEMBL3168948 0.84 NISCH (0.73) NISCHMAOAMAOBADRA1AADRA1D
SCHEMBL3172398 0.84 NISCH (0.71) NISCHMAOAMAOBADRA1AADRA1D

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 32 patents — showing the first 20. 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-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-4343808-A Method of inhibiting sickling of sickle erythrocytes THE DOW CHEMICAL COMPANY (US) 1982-08-10 US claimed
WO-2016105449-A1 COMPOUNDS FOR USE AS PAIN THERAPEUTICS LEDERMAN SETH (US) 2016-06-30 WO disclosed
WO-2016105448-A1 IMIDAZOLINE RECEPTOR TYPE 1 LIGANDS FOR USE AS THERAPEUTICS RIDEOUT DARRYL (US) 2016-06-30 WO disclosed
US-8455663-B2 Halosubstituted aryloxyalkylimidazolines for use as pesticides SYNGENTA CROP PROTECTION LLC (US) 2013-06-04 US disclosed
EP-2190823-B1 Halosubstituted aryloxyalkylimidazolines for use as pesticides SYNGENTA PARTICIPATIONS AG (CH) 2012-07-11 EP disclosed
US-8110593-B2 Phenoxymethyl imidazoline derivatives and their use as pesticides SYNGENTA CROP PROTECTION LLC (US) 2012-02-07 US disclosed
US-20100280088-A1 HALOSUBSTITUTED ARYLOXYALKYLIMIDAZOLINES FOR USE AS PESTICIDES SYNGENTA CROP PROTECTION, INC. (US) 2010-11-04 US disclosed
EP-2190823-A1 HALOSUBSTITUTED ARYLOXYALKYLIMIDAZOLINES FOR USE AS PESTICIDES Syngenta Participations AG (CH) 2010-06-02 EP disclosed
EP-1958508-A1 Phenoxymethyl imidazoline derivatives and their use as pesticides Syngeta Participations AG (CH) 2008-08-20 EP disclosed
EP-1958508-A1 Phenoxymethyl imidazoline derivatives and their use as pesticides Syngeta Participations AG (CH) 2008-08-20 EP disclosed
EP-0173597-B1 ETHER OXIDE DERIVATIVES OF CYCLOPROPYL PHENOLS Najer, Henri (FR) 1989-12-27 EP disclosed
US-4523020-A USEFUL FOR TREATMENT OF DIARRHEA AND AS ANALGESICS G. D. SEARLE & CO. (US) 1985-06-11 US disclosed
EP-0011596-B1 2-(ALPHA-PHENOXY-ALKYL)-IMIDAZOLINES AND THEIR SALTS, THEIR PREPARATION AND USE, AND AGENTS AGAINST PHYTOPARASITIC AND ZOOPARASITIC MITES CONTAINING THEM CIBA-GEIGY AG (CH) 1981-12-30 EP disclosed
US-4276302-A PARASITICIDES CIBA-GEIGY CORPORATION (US) 1981-06-30 US disclosed
EP-0011596-A1 2-(Alpha-phenoxy-alkyl)-imidazolines and their salts, their preparation and use, and agents against phytoparasitic and zooparasitic mites containing them CIBA-GEIGY AG (CH) 1980-05-28 EP 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-20100280088-A1 HALOSUBSTITUTED ARYLOXYALKYLIMIDAZOLINES FOR USE AS PESTICIDES GLRA3, GLRX3, GLRA1 NISCH 273/4885MAOA 1725/4885MAOB 2406/4885
US-20090018180-A1 2-IMIDAZOLINES TAAR1, TAAR5, NPY1R NISCH 2014/4885MAOA 67/4885MAOB 81/4885

“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.