SCHEMBL4046933

SCHEMBL4046933

ClCC(Cl)c1ccccn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 4/20 0.47
SLC6A4 P31645 4/20 0.47
SLC6A3 Q01959 3/20 0.47
TSHR P16473 2/20 0.46
KCNA5 P22460 5/20 0.43
KCNH2 Q12809 3/20 0.43
KCNE1 P15382 2/20 0.41
CYP2D6 P10635 2/20 0.41
NPSR1 Q6W5P4 1/20 0.40
CHRM2 P08172 3/20 0.40
SCN1A P35498 2/20 0.40
SCN2A Q99250 2/20 0.40
SCN3A Q9NY46 2/20 0.40
TDP1 Q9NUW8 1/20 0.39
CYP1A2 P05177 2/20 0.39
ALDH1A1 P00352 2/20 0.39
CHRM5 P08912 2/20 0.38
CHRM1 P11229 2/20 0.38
ADRA2B P18089 2/20 0.38
HRH2 P25021 2/20 0.38

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
SCHEMBL177672 0.81 SLC6A2 (0.45) SLC6A2SLC6A4SLC6A3TSHRKCNA5
SCHEMBL7753102 0.81 KCNA5 (0.50) SLC6A2SLC6A4SLC6A3TSHRKCNA5
SCHEMBL28858566 0.81 SLC6A2 (0.45) SLC6A2SLC6A4SLC6A3TSHRKCNA5
SCHEMBL21742037 0.78 TSHR (0.46) SLC6A2SLC6A4SLC6A3TSHRKCNA5
SCHEMBL8317919 0.78 HRH1 (0.42) SLC6A2SLC6A4SLC6A3TSHRKCNA5
SCHEMBL27855629 0.78 KCNA5 (0.51) SLC6A2SLC6A4SLC6A3TSHRKCNA5
SCHEMBL5762415 0.77 SLC6A2 (0.45) SLC6A2SLC6A4SLC6A3TSHRKCNA5
SCHEMBL5762413 0.77 SLC6A2 (0.45) SLC6A2SLC6A4SLC6A3TSHRKCNA5
SCHEMBL10938888 0.77 KCNA5 (0.50) SLC6A2SLC6A4SLC6A3TSHRKCNA5
SCHEMBL5763081 0.77 SLC6A2 (0.45) SLC6A2SLC6A4SLC6A3TSHRKCNA5

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-106518757-B A kind of method that microwave method synthesizes the halogenated -3- substituted hydrocarbon radical sulfonyl pyridine of 2- and its intermediate 山东师范大学 2019-03-19 CN disclosed
CN-103694122-B One 2,2 ', 4,4 ', 6, the preparation method of 6 '-picryl sulfide base ethene XI'AN INST. OF MODERN CHEMISTRY (CN) 2016-05-25 CN disclosed
US-7560474-B2 Derivatives of pyridilethanol (phenylethyl) amines as inhibitors of cholesterol biosynthesis, process for their preparation and pharmaceutical compositions containing them LEK PHARMACEUTICALS D.D. (SI) 2009-07-14 US disclosed
US-20050256172-A1 Novel derivatives of pyridilethanol (phenylethyl) amines as inhibitors of cholesterol biosynthesis, process for their preparation and pharmaceutical compositions containing them LEK PHARMACEUTICALS D.D. (SI) 2005-11-17 US disclosed
CN-1668594-A New derivatives of pyridylethanol (phenylethyl) amines useful as cholesterol biosynthesis inhibitors, process for their preparation and pharmaceutical compositions containing them LEK FARMACEVTSKA DRUZBA DD (SI) 2005-09-14 CN disclosed
EP-1546105-A1 NOVEL DERIVATIVES OF PYRIDYLETHANOL (PHENYLETHYL) AMINES AS INHIBITORS OF CHOLESTEROL BIOSYNTHESIS, PROCESSES FOR THEIR PREPARATION, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Lek Pharmaceutical and Chemical Co. D.D. (SI) 2005-06-29 EP disclosed
WO-2004007456-A1 NOVEL DERIVATIVES OF PYRIDYLETHANOL (PHENYLETHYL) AMINES AS INHIBITORS OF CHOLESTEROL BIOSYNTHESIS, PROCESSES FOR THEIR PREPARATION, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM LEK PHARMACEUTICALS D.D. (SI) 2004-01-22 WO disclosed
US-5691053-A Coating composition with thermally-influenced color DAIMLER-BENZ AG (DE) 1997-11-25 US disclosed
EP-0691979-A1 NOVEL 5'-SUBSTITUTED NUCLEOSIDES AND OLIGOMERS PRODUCED THEREFROM SANOFI (FR) 1996-01-17 EP disclosed
WO-1994022890-A1 NOVEL 5'-SUBSTITUTED NUCLEOSIDES AND OLIGOMERS PRODUCED THEREFROM STERLING WINTHOP INC. (US) 1994-10-13 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 (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-20050256172-A1 Novel derivatives of pyridilethanol (phenylethyl) amines as inhibitors of cholesterol biosynthesis, process for their preparation and pharmaceutical compositions containing them DHCR7, NR1H3, NR1H4 SLC6A2 1063/4885SLC6A4 1772/4885SLC6A3 1646/4885

“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.