SCHEMBL3581990

SCHEMBL3581990

CC(C)(C)OC(=O)N[C@@H](Cc1ccc(N)cc1)[C@H](O)CCl

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KLK5 Q9Y337 3/20 0.52
PSEN1 P49768 3/20 0.46
PSEN2 P49810 3/20 0.46
APH1B Q8WW43 3/20 0.46
NCSTN Q92542 3/20 0.46
APH1A Q96BI3 3/20 0.46
PSENEN Q9NZ42 3/20 0.46
APP P05067 1/20 0.46
ATM Q13315 1/20 0.43
CTSS P25774 6/20 0.42
CTSK P43235 5/20 0.42
REN P00797 1/20 0.41
CTSL P07711 1/20 0.41
CTSB P07858 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
SCHEMBL6158011 0.90 CTSS (0.53) KLK5PSEN1PSEN2APH1BNCSTN
SCHEMBL13537643 0.89 CTSS (0.54) KLK5PSEN1PSEN2APH1BNCSTN
SCHEMBL13315172 0.89 CTSS (0.54) KLK5PSEN1PSEN2APH1BNCSTN
SCHEMBL640670 0.88 KLK5 (0.65) KLK5PSEN1PSEN2APH1BNCSTN
SCHEMBL3984508 0.88 KLK5 (0.65) KLK5PSEN1PSEN2APH1BNCSTN
SCHEMBL638912 0.88 KLK5 (0.65) KLK5PSEN1PSEN2APH1BNCSTN
SCHEMBL495758 0.88 KLK5 (0.65) KLK5PSEN1PSEN2APH1BNCSTN
SCHEMBL5171370 0.88 KLK5 (0.65) KLK5PSEN1PSEN2APH1BNCSTN
SCHEMBL1481008 0.88 KLK5 (0.65) KLK5PSEN1PSEN2APH1BNCSTN
SCHEMBL495756 0.88 KLK5 (0.65) KLK5PSEN1PSEN2APH1BNCSTN

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-20100144741-A1 ETHANOLAMINE DERIVATIVES USEFUL AS BACE INHIBITORS FREDERIKSEN MATHIAS 2010-06-10 US disclosed
EP-2094645-A1 2-HYDROXY-1,3-DIAMINOPROPANE DERIVATIVES Novartis AG (CH) 2009-09-02 EP disclosed
WO-2008062044-A1 2-HYDROXY-1,3-DIAMINOPROPANE DERIVATIVES NOVARTIS AG (CH) 2008-05-29 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-20100144741-A1 ETHANOLAMINE DERIVATIVES USEFUL AS BACE INHIBITORS BACE1, BACE2, APP KLK5 3110/4885PSEN1 4/4885PSEN2 5/4885

“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.