SCHEMBL1647233

SCHEMBL1647233

CN1CCN(c2ccc(OCc3ccccc3)c(C(=O)OCc3ccccc3)c2)CC1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 4/20 0.62
HTR6 P50406 5/20 0.59
SIGMAR1 Q99720 8/20 0.58
TMEM97 Q5BJF2 7/20 0.58
HTR1A P08908 1/20 0.58
ADRA2A P08913 1/20 0.58
ADRA2B P18089 1/20 0.58
ADRA2C P18825 1/20 0.58
DRD1 P21728 1/20 0.58
HRH2 P25021 1/20 0.58
HTR1B P28222 1/20 0.58
HTR2A P28223 1/20 0.58
HTR2C P28335 1/20 0.58
HTR1E P28566 1/20 0.58
SLC6A4 P31645 1/20 0.58
HRH1 P35367 1/20 0.58
HTR2B P41595 1/20 0.58
HRH3 Q9Y5N1 1/20 0.58
NEK2 P51955 1/20 0.52
CYP3A4 P08684 1/20 0.51

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
SCHEMBL1647466 0.90 LRRK2 (0.66) LRRK2HTR6SIGMAR1TMEM97HTR1A
SCHEMBL1315758 0.88 LRRK2 (0.61) LRRK2CYP3A4KCNH2SLCO1B1MAPT
SCHEMBL23259451 0.86 LRRK2 (0.62) LRRK2HTR6HTR1ASLC6A4CYP3A4
SCHEMBL552011 0.86 LRRK2 (0.62) LRRK2CYP3A4SLCO1B1USP2MAPT
SCHEMBL23259450 0.86 ME2 (0.57) LRRK2USP2MAPTKMT2A
SCHEMBL15127660 0.81 ALDH1A1 (0.54) LRRK2SIGMAR1TMEM97HTR1AADRA2A
SCHEMBL1316513 0.81 LRRK2 (0.63) LRRK2HTR6CYP3A4KCNH2SLCO1B1
SCHEMBL1318286 0.79 LRRK2 (0.64) LRRK2HTR6CYP3A4KCNH2SLCO1B1
SCHEMBL2478773 0.78 HTR6 (0.67) LRRK2HTR6SIGMAR1TMEM97HTR1A
SCHEMBL3139131 0.78 HTR6 (0.67) LRRK2HTR6SIGMAR1TMEM97HTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2483254-B1 NOVEL COMPOUNDS GLAXO GROUP LTD (GB) 2014-08-13 EP disclosed
US-8778939-B2 Compounds GLAXO GROUP LIMITED (GB) 2014-07-15 US disclosed
EP-2483254-A1 NOVEL COMPOUNDS Glaxo Group Limited (GB) 2012-08-08 EP disclosed
US-20120184553-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2012-07-19 US disclosed
WO-2011038572-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2011-04-07 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-20120184553-A1 NOVEL COMPOUNDS LRRK2, PARK7, PINK1 LRRK2 1/4885HTR6 2104/4885SIGMAR1 4516/4885

“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.