SCHEMBL546268

SCHEMBL546268

Cc1cccc(OCC2=NCCN2)c1C

nearest known ligand 0.78

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NISCH Q9Y2I1 11/20 0.78
HTR1A P08908 4/20 0.61
ADRA2A P08913 4/20 0.61
ADRA2B P18089 4/20 0.61
ADRA2C P18825 4/20 0.61
ADRA1A P35348 8/20 0.60
MAOA P21397 2/20 0.59
MAOB P27338 2/20 0.59
ADRA1D P25100 4/20 0.58
ADRA1B P35368 4/20 0.58
CYP1A2 P05177 1/20 0.57
CYP2D6 P10635 1/20 0.57
THRB P10828 1/20 0.57
TSHR P16473 1/20 0.57
CYP2C19 P33261 1/20 0.57
THPO P40225 1/20 0.57
HSD17B10 Q99714 1/20 0.57
LMNA P02545 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 SCHEMBL9654109 0.99 NISCH (0.76) NISCHHTR1AADRA2AADRA2BADRA2C
SCHEMBL3962998 0.86 NISCH (0.74) NISCHHTR1AADRA2AADRA2BADRA2C
Hydrochloric Acid SCHEMBL9655504 0.85 NISCH (0.64) NISCHHTR1AADRA2AADRA2BADRA2C
Hydrochloric Acid SCHEMBL9655718 0.85 HTR1A (0.72) NISCHHTR1AADRA2AADRA2BADRA2C
Hydrochloric Acid SCHEMBL9654820 0.85 NISCH (0.64) NISCHHTR1AADRA2AADRA2BADRA2C
Hydrochloric Acid SCHEMBL9654911 0.85 NISCH (0.72) NISCHHTR1AADRA2AADRA2BADRA2C
Hydrochloric Acid SCHEMBL9653926 0.83 NISCH (0.76) NISCHHTR1AADRA2AADRA2BADRA2C
Hydrochloric Acid SCHEMBL9655719 0.82 NISCH (0.62) NISCHHTR1AADRA2AADRA2BADRA2C
Hydrochloric Acid SCHEMBL9655510 0.81 NISCH (0.60) NISCHHTR1AADRA2AADRA2BADRA2C
Hydrochloric Acid SCHEMBL9652303 0.81 LMNA (0.77) NISCHHTR1AADRA2AADRA2BADRA2C

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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0049797-A2 Anthelminticum containing 2-(2,3-dimethyl-phenoxy-methyl)-2-imidazoline BAYER AG (DE) 1982-04-21 EP claimed
US-8110593-B2 Phenoxymethyl imidazoline derivatives and their use as pesticides SYNGENTA CROP PROTECTION LLC (US) 2012-02-07 US disclosed
US-8110593-B2 Phenoxymethyl imidazoline derivatives and their use as pesticides SYNGENTA CROP PROTECTION LLC (US) 2012-02-07 US disclosed
US-8110593-B2 Phenoxymethyl imidazoline derivatives and their use as pesticides SYNGENTA CROP PROTECTION LLC (US) 2012-02-07 US disclosed
US-20100120881-A1 CHEMICAL COMPOUNDS SYNGENTA CROP PROTECTION, INC. (US) 2010-05-13 US disclosed
US-20100120881-A1 CHEMICAL COMPOUNDS SYNGENTA CROP PROTECTION, INC. (US) 2010-05-13 US disclosed
US-20100120881-A1 CHEMICAL COMPOUNDS SYNGENTA CROP PROTECTION, INC. (US) 2010-05-13 US disclosed
CN-101627016-A Compound (I) SYNGENTA PARTICIPATIONS AG 2010-01-13 CN disclosed
EP-2117310-A2 CHEMICAL COMPOUNDS Syngeta Participations AG (CH) 2009-11-18 EP disclosed
WO-2008098657-A2 CHEMICAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2008-08-21 WO disclosed
EP-1958507-A1 Chemical compounds Syngeta Participations AG (CH) 2008-08-20 EP disclosed
EP-1958507-A1 Chemical compounds Syngeta Participations AG (CH) 2008-08-20 EP disclosed
US-4414223-A MITICIDWS BURROUGHS WELLCOME CO. (US) 1983-11-08 US disclosed
EP-0049797-A3 ANTHELMINTICUM CONTAINING 2-(2,3-DIMETHYL-PHENOXY-METHYL)-2-IMIDAZOLINE BAYER AG (DE) 1982-04-28 EP disclosed
EP-0049797-A2 Anthelminticum containing 2-(2,3-dimethyl-phenoxy-methyl)-2-imidazoline BAYER AG (DE) 1982-04-21 EP disclosed
EP-0049797-A2 Anthelminticum containing 2-(2,3-dimethyl-phenoxy-methyl)-2-imidazoline BAYER AG (DE) 1982-04-21 EP disclosed
US-4228175-A Bis-(phenoxyalkyl-2-imidazolin)-1,1-sulfides, process for their manufacture, compositions which contain these sulfides as active component and use thereof in pest control CIBA-GEIGY CORPORATION (US) 1980-10-14 US disclosed
US-4226876-A MITICIDES BURROUGHS WELLCOME CO. (US) 1980-10-07 US disclosed
EP-0008565-A1 Bis-(phenoxy-alkyl-2-imidazoline)-1,1'-sulfides, process for their preparation, agents containing these sulfides as active components, and their use in combating pesticides CIBA-GEIGY AG (CH) 1980-03-05 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 (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-20100120881-A1 CHEMICAL COMPOUNDS AADAC, ACHE, ATL3 NISCH 4/4885HTR1A 3389/4885ADRA2A 1649/4885

“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.