SCHEMBL3314458

SCHEMBL3314458

Clc1ccccc1CC1CNCCO1

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 17/20 0.52
SLC6A4 P31645 13/20 0.46
SLC6A3 Q01959 11/20 0.46
ADRB2 P07550 1/20 0.46
HTR1A P08908 1/20 0.46
HTR2A P28223 1/20 0.46
ADRA1A P35348 1/20 0.46
HTR2B P41595 1/20 0.46
ADRA2C P18825 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
SCHEMBL28253269 0.89 SLC6A2 (0.51) SLC6A2SLC6A4SLC6A3ADRB2HTR1A
SCHEMBL1961847 0.83 SLC6A2 (0.50) SLC6A2SLC6A4SLC6A3ADRB2HTR1A
SCHEMBL2458909 0.81 SLC6A2 (0.46) SLC6A2SLC6A4SLC6A3ADRB2HTR1A
SCHEMBL27787953 0.81 SLC6A2 (0.48) SLC6A2SLC6A4SLC6A3ADRB2HTR1A
SCHEMBL1552722 0.81 SLC6A2 (0.46) SLC6A2SLC6A4SLC6A3ADRB2HTR1A
SCHEMBL1552719 0.81 SLC6A2 (0.46) SLC6A2SLC6A4SLC6A3ADRB2HTR1A
SCHEMBL28212077 0.81 SLC6A2 (0.46) SLC6A2SLC6A4SLC6A3ADRB2HTR1A
SCHEMBL3325239 0.80 SLC6A2 (0.44) SLC6A2SLC6A4SLC6A3ADRB2HTR1A
SCHEMBL10714377 0.80 SLC6A4 (0.45) SLC6A2SLC6A4SLC6A3ADRB2HTR1A
SCHEMBL16758804 0.80 SLC6A4 (0.45) SLC6A2SLC6A4SLC6A3ADRB2HTR1A

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
CN-105814012-B The preparation method of two alpha substituted benzylamines, the particularly dialkyl benzylamine of halo of halo 拜耳作物科学股份公司 2018-01-26 CN disclosed
EP-3080070-B1 METHOD FOR THE PREPARATION OF HALOGENATED DI-SUBSTITUTED BENZYLAMINES, IN PARTICULAR HALOGENETED DIALKYLBENZYLAMINES BAYER CROPSCIENCE AG (DE) 2017-11-01 EP disclosed
US-9670135-B2 Preparation of halogenated di-substituted benzylamines, particularly halogenated dialkylbenzylamines BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2017-06-06 US disclosed
US-20160304435-A1 PREPARATION OF HALOGENATED DI-SUBSTITUTED BENZYLAMINES, PARTICULARLY HALOGENATED DIALKYLBENZYLAMINES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2016-10-20 US disclosed
EP-3080070-A1 METHOD FOR THE PREPARATION OF HALOGENATED DI-SUBSTITUTED BENZYLAMINES, IN PARTICULAR HALOGENATED DIALKYLBENZYLAMINES Bayer CropScience Aktiengesellschaft (DE) 2016-10-19 EP disclosed
CN-105814012-A Method for the preparation of halogenated di-substituted benzylamines, in particular halogenated dialkylbenzylamines 拜耳作物科学股份公司 2016-07-27 CN disclosed
WO-2015086490-A1 METHOD FOR THE PREPARATION OF HALOGENATED DI-SUBSTITUTED BENZYLAMINES, IN PARTICULAR HALOGENATED DIALKYLBENZYLAMINES BAYER CROPSCIENCE AG (DE) 2015-06-18 WO disclosed
US-20100113778-A1 PROCESS FOR PREPARING O-CHLOROMETHYLPHENYLGLYOXYLIC ESTERS, IMPROVED PROCESS FOR PREPARING (E)-2-(2-CHLOROMETHYLPHENYL)-2-ALKOXIMINOACETIC ESTERS, AND NOVEL INTERMEDIATES FOR THEIR PREPARATION DSM FINE CHEMICALS AUSTRIA NFG GMBH & CO KG (AT) 2010-05-06 US disclosed
EP-2134673-A1 IMPROVED PROCESS FOR PREPARING O-CHLOROMETHYLPHENYLGLYOXYLIC ESTERS, IMPROVED PROCESS FOR PREPARING (E)-2-(2-CHLOROMETHYLPHENYL)-2-ALKOXIMINOACETIC ESTERS, AND NOVEL INTERMEDIATES FOR THEIR PREPARATION DSM Fine Chemicals Austria Nfg GmbH & Co KG (AT) 2009-12-23 EP disclosed
WO-2008125592-A1 IMPROVED PROCESS FOR PREPARING O-CHLOROMETHYLPHENYLGLYOXYLIC ESTERS, IMPROVED PROCESS FOR PREPARING (E)-2-(2-CHLOROMETHYLPHENYL)-2-ALKOXIMINOACETIC ESTERS, AND NOVEL INTERMEDIATES FOR THEIR PREPARATION DSM FINE CHEMICALS AUSTRIA NFG GMBH & CO KG (AT) 2008-10-23 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-20100113778-A1 PROCESS FOR PREPARING O-CHLOROMETHYLPHENYLGLYOXYLIC ESTERS, IMPROVED PROCESS FOR PREPARING (E)-2-(2-CHLOROMETHYLPHENYL)-2-ALKOXIMINOACETIC ESTERS, AND NOVEL INTERMEDIATES FOR THEIR PREPARATION CYP4F12, GRHPR, CYP4F2 SLC6A2 3277/4885SLC6A4 1278/4885SLC6A3 4294/4885
US-20160304435-A1 PREPARATION OF HALOGENATED DI-SUBSTITUTED BENZYLAMINES, PARTICULARLY HALOGENATED DIALKYLBENZYLAMINES DEK, DRD4, DCK SLC6A2 624/4885SLC6A4 463/4885SLC6A3 68/4885

“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.