SCHEMBL5220403

SCHEMBL5220403

CC(C)CCCNC[C@@H](O)[C@@H](N)Cc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LAP3 P28838 4/20 0.53
ANPEP P15144 2/20 0.53
RNPEP Q9H4A4 2/20 0.53
DNPEP Q9ULA0 2/20 0.53
CSNK1E P49674 1/20 0.52
F2 P00734 2/20 0.43
SLC6A2 P23975 2/20 0.41
TAAR1 Q96RJ0 2/20 0.41
MAOA P21397 1/20 0.41
SLC6A4 P31645 1/20 0.41
SLC6A3 Q01959 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
CYP2A6 P11509 1/20 0.41
ADORA2A P29274 1/20 0.41
ADORA1 P30542 1/20 0.41
SPPL2A Q8TCT8 1/20 0.41
REN P00797 2/20 0.40
BCHE P06276 2/20 0.40
MEN1 O00255 1/20 0.40
RAB9A P51151 1/20 0.40

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
SCHEMBL5224141 0.96 CSNK1E (0.55) LAP3ANPEPRNPEPDNPEPCSNK1E
SCHEMBL6894566 0.92 LAP3 (0.59) LAP3ANPEPRNPEPDNPEPCSNK1E
SCHEMBL4689505 0.92 LAP3 (0.59) LAP3ANPEPRNPEPDNPEPCSNK1E
SCHEMBL14627960 0.88 CSNK1E (0.53) LAP3ANPEPRNPEPDNPEPCSNK1E
SCHEMBL6890116 0.86 CSNK1E (0.62) LAP3ANPEPRNPEPDNPEPCSNK1E
SCHEMBL3355145 0.86 CSNK1E (0.62) LAP3ANPEPRNPEPDNPEPCSNK1E
Hydrochloric Acid SCHEMBL5218980 0.84 CSNK1E (0.61) LAP3ANPEPRNPEPDNPEPCSNK1E
SCHEMBL5226010 0.84 CSNK1E (0.65) LAP3ANPEPRNPEPDNPEPCSNK1E
SCHEMBL6887457 0.84 SIGMAR1 (0.53) ANPEPCSNK1EF2SIGMAR1
SCHEMBL3356645 0.84 SIGMAR1 (0.53) ANPEPCSNK1EF2SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7253198-B2 Hydroxyethylamine derivatives for the treatment of Alzheimer's disease GLAXO GROUP LIMITED (GB) 2007-08-07 US disclosed
EP-1567488-B1 HYDROXYETHYLAMINE DERIVATIVES FOR THE TREATMENT OF ALZHEIMER'S DISEASE GLAXO GROUP LTD (GB) 2007-02-21 EP disclosed
US-20060025459-A1 Hydroxyethylamine derivatives for the treatment of alzheimer's disease GLAXO GROUP LIMITED (GB) 2006-02-02 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-20060025459-A1 Hydroxyethylamine derivatives for the treatment of alzheimer's disease BACE2, PSEN2, BACE1 LAP3 259/4885ANPEP 47/4885RNPEP 239/4885

“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.