SCHEMBL4689505

SCHEMBL4689505

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

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LAP3 P28838 4/20 0.59
ANPEP P15144 2/20 0.59
RNPEP Q9H4A4 2/20 0.59
DNPEP Q9ULA0 2/20 0.59
CSNK1E P49674 1/20 0.51
F2 P00734 2/20 0.44
SLC6A2 P23975 2/20 0.43
TAAR1 Q96RJ0 2/20 0.43
MAOA P21397 1/20 0.43
SLC6A4 P31645 1/20 0.43
SLC6A3 Q01959 1/20 0.43
SIGMAR1 Q99720 1/20 0.43
CYP2A6 P11509 1/20 0.43
ADORA2A P29274 1/20 0.43
ADORA1 P30542 1/20 0.43
SLC15A1 P46059 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
SPPL2A Q8TCT8 1/20 0.42
MEN1 O00255 1/20 0.42
HTT P42858 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
SCHEMBL6894566 1.00 LAP3 (0.59) LAP3ANPEPRNPEPDNPEPCSNK1E
SCHEMBL5220403 0.92 LAP3 (0.53) LAP3ANPEPRNPEPDNPEPCSNK1E
SCHEMBL5224141 0.90 CSNK1E (0.55) LAP3ANPEPRNPEPDNPEPCSNK1E
SCHEMBL1057036 0.86 CSNK1E (0.51) LAP3ANPEPRNPEPDNPEPCSNK1E
SCHEMBL1286637 0.86 CSNK1E (0.51) LAP3ANPEPRNPEPDNPEPCSNK1E
SCHEMBL1286638 0.86 CSNK1E (0.51) LAP3ANPEPRNPEPDNPEPCSNK1E
SCHEMBL4039471 0.85 BCHE (0.58) CSNK1ESLC6A2SLC6A4SLC6A3MEN1
SCHEMBL5930069 0.85 CSNK1E (0.57) LAP3ANPEPRNPEPDNPEPCSNK1E
Hydrochloric Acid SCHEMBL5223863 0.85 CSNK1E (0.50) LAP3ANPEPRNPEPDNPEPCSNK1E
Hydrochloric Acid SCHEMBL8734228 0.85 CSNK1E (0.50) LAP3ANPEPRNPEPDNPEPCSNK1E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020128255-A1 Compounds to treat alzheimer's disease PHARMACIA & UPJOHN COMPANY 2002-09-12 US claimed
EP-1692143-B1 TRICYCLIC INDOLE HYDROXYETHYLAMINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF ALZHEIMER'S DISEASE GLAXO GROUP LTD (GB) 2008-11-12 EP disclosed
US-20070213407-A1 Compounds to treat Alzheimer's disease ELAN PHARMACEUTICALS AND PHARMACIA & UPJOHN COMPANY LLC 2007-09-13 US disclosed
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 (3 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-20020128255-A1 Compounds to treat alzheimer's disease PSEN2, PSEN1, APP LAP3 2618/4885ANPEP 728/4885RNPEP 1087/4885
US-20070213407-A1 Compounds to treat Alzheimer's disease PSEN2, PSEN1, CHAT LAP3 1913/4885ANPEP 283/4885RNPEP 575/4885
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.