SCHEMBL1647466

SCHEMBL1647466

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

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 7/20 0.66
HTR6 P50406 5/20 0.63
TMEM97 Q5BJF2 5/20 0.56
SIGMAR1 Q99720 5/20 0.56
HTR1A P08908 1/20 0.56
ADRA2A P08913 1/20 0.56
ADRA2B P18089 1/20 0.56
ADRA2C P18825 1/20 0.56
DRD1 P21728 1/20 0.56
HRH2 P25021 1/20 0.56
HTR1B P28222 1/20 0.56
HTR2A P28223 1/20 0.56
HTR2C P28335 1/20 0.56
HTR1E P28566 1/20 0.56
SLC6A4 P31645 1/20 0.56
HRH1 P35367 1/20 0.56
HTR2B P41595 1/20 0.56
HRH3 Q9Y5N1 1/20 0.56
FOLH1 Q04609 1/20 0.54
CYP3A4 P08684 2/20 0.53

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
SCHEMBL1647233 0.90 LRRK2 (0.62) LRRK2HTR6TMEM97SIGMAR1HTR1A
SCHEMBL1318540 0.88 LRRK2 (0.64) LRRK2FOLH1CYP3A4SLCO1B1KCNH2
SCHEMBL1317670 0.85 LRRK2 (0.66) LRRK2FOLH1CYP3A4SLCO1B1KMT2A
SCHEMBL2478773 0.81 HTR6 (0.67) LRRK2HTR6TMEM97SIGMAR1HTR1A
SCHEMBL3139131 0.81 HTR6 (0.67) LRRK2HTR6TMEM97SIGMAR1HTR1A
SCHEMBL10322800 0.81 HPGD (0.59) FOLH1USP2MAPT
SCHEMBL6919058 0.80 LRRK2 (1.00) LRRK2CYP3A4SLCO1B1KCNH2
SCHEMBL1647449 0.79 KMT2A (0.57) FOLH1MAPTKMT2A
SCHEMBL1316513 0.79 LRRK2 (0.63) LRRK2HTR6CYP3A4SLCO1B1KCNH2
SCHEMBL3148639 0.77 HTR6 (1.00) LRRK2HTR6HTR2AMAPTMAPK1

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 2104/4885TMEM97 2131/4885

“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.