SCHEMBL4688790

SCHEMBL4688790

N[C@@H](Cc1ccccc1)[C@H](O)CNCCF

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CSNK1E P49674 1/20 0.47
F2 P00734 2/20 0.46
MMP2 P08253 2/20 0.44
EPHX1 P07099 1/20 0.44
BCHE P06276 3/20 0.43
ANPEP P15144 3/20 0.43
ERAP2 Q6P179 1/20 0.43
LAP3 P28838 6/20 0.42
RNPEP Q9H4A4 1/20 0.42
DNPEP Q9ULA0 1/20 0.42
SLC15A1 P46059 1/20 0.41

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
SCHEMBL4693087 0.91 CSNK1E (0.48) CSNK1EF2MMP2EPHX1BCHE
SCHEMBL14627960 0.87 CSNK1E (0.53) CSNK1EF2MMP2EPHX1BCHE
SCHEMBL7300383 0.87 CSNK1E (0.54) CSNK1EF2MMP2EPHX1BCHE
SCHEMBL496056 0.86 ANPEP (0.55) CSNK1EF2EPHX1BCHEANPEP
SCHEMBL3347864 0.86 ANPEP (0.55) CSNK1EF2EPHX1BCHEANPEP
SCHEMBL4044665 0.86 ANPEP (0.55) CSNK1EF2EPHX1BCHEANPEP
SCHEMBL4696783 0.86 ANPEP (0.55) CSNK1EF2EPHX1BCHEANPEP
Hydrochloric Acid SCHEMBL7310009 0.85 CSNK1E (0.53) CSNK1EF2MMP2EPHX1BCHE
Hydrochloric Acid SCHEMBL5219517 0.84 ANPEP (0.54) CSNK1EF2EPHX1BCHEANPEP
Hydrochloric Acid SCHEMBL496686 0.84 ANPEP (0.54) CSNK1EF2EPHX1BCHEANPEP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-20060229302-A1 Tricyclic indole derivatives and their use in the treatment of alzheimer's disease GLAXO GROUP LIMITED (GB) 2006-10-12 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-20060229302-A1 Tricyclic indole derivatives and their use in the treatment of alzheimer's disease BACE2, BACE1, PSEN2 CSNK1E 580/4885F2 4637/4885MMP2 817/4885

“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.