SCHEMBL13817895

SCHEMBL13817895

CN(C)CCC(O)[C@@H](N)Cc1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK1E P49674 1/20 0.60
EPHX1 P07099 1/20 0.47
HTR2A P28223 1/20 0.46
HRH1 P35367 1/20 0.46
TAAR1 Q96RJ0 3/20 0.44
SLC6A2 P23975 2/20 0.44
MAOA P21397 1/20 0.44
SLC6A4 P31645 1/20 0.44
SLC6A3 Q01959 1/20 0.44
SIGMAR1 Q99720 1/20 0.44
CYP2A6 P11509 1/20 0.44
ADORA2A P29274 1/20 0.44
ADORA1 P30542 1/20 0.44
LAP3 P28838 3/20 0.43
ANPEP P15144 2/20 0.43
RNPEP Q9H4A4 1/20 0.43
DNPEP Q9ULA0 1/20 0.43
UBE2N P61088 1/20 0.43
SLC15A1 P46059 1/20 0.43
CHRM1 P11229 1/20 0.42

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
SCHEMBL496237 0.83 CSNK1E (0.55) CSNK1EEPHX1TAAR1SLC6A2MAOA
SCHEMBL6205916 0.82 EPHX1 (0.59) EPHX1HTR2AHRH1TAAR1SLC6A2
Hydrochloric Acid SCHEMBL496260 0.81 CSNK1E (0.54) CSNK1EEPHX1TAAR1SLC6A2MAOA
Hydrochloric Acid SCHEMBL4789127 0.81 CSNK1E (0.54) CSNK1EEPHX1TAAR1SLC6A2MAOA
Hydrochloric Acid SCHEMBL15062952 0.81 CSNK1E (0.54) CSNK1EEPHX1TAAR1SLC6A2MAOA
SCHEMBL11590730 0.81 CSNK1E (0.76) CSNK1EEPHX1TAAR1SLC6A2MAOA
SCHEMBL9076300 0.79 CSNK1E (0.64) CSNK1EEPHX1TAAR1SLC6A2MAOA
SCHEMBL9076303 0.79 CSNK1E (0.64) CSNK1EEPHX1TAAR1SLC6A2MAOA
SCHEMBL4253478 0.78 CSNK1E (0.51) CSNK1EEPHX1LAP3ANPEPRNPEP
SCHEMBL4044419 0.78 CSNK1E (0.55) CSNK1EEPHX1LAP3ANPEPRNPEP

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-1697308-B1 PHENYLAMIDE AND PYRIDYLAMIDE BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE MERCK SHARP & DOHME (US) 2014-03-19 EP disclosed
US-7550481-B2 Phenylamide and pyridylamide beta-secretase inhibitors for the treatment of Alzheimer's disease MERCK & CO., INC. (US) 2009-06-23 US disclosed
US-7550481-B2 Phenylamide and pyridylamide beta-secretase inhibitors for the treatment of Alzheimer's disease MERCK & CO., INC. (US) 2009-06-23 US disclosed
US-20070142634-A1 Phenylamide and pyridylamide beta-secretase inhibitors for the treatment of alzheimer's disease MERCK SHARP & DOHME LLC 2007-06-21 US disclosed
US-20070142634-A1 Phenylamide and pyridylamide beta-secretase inhibitors for the treatment of alzheimer's disease MERCK SHARP & DOHME LLC 2007-06-21 US 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-20070142634-A1 Phenylamide and pyridylamide beta-secretase inhibitors for the treatment of alzheimer's disease BACE1, BACE2, APP CSNK1E 775/4885EPHX1 213/4885HTR2A 700/4885

“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.