Sugi Predict

Sugi Predict / Compounds / SCHEMBL3382250

SCHEMBL3382250

SCHEMBL3382250

O=C(O)N[C@@H](CC1CCCC1)[C@H](O)CO

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PSEN1 P49768 1/20 0.37
▸ PSEN2 P49810 1/20 0.37
▸ APH1B Q8WW43 1/20 0.37
▸ NCSTN Q92542 1/20 0.37
▸ APH1A Q96BI3 1/20 0.37
▸ PSENEN Q9NZ42 1/20 0.37
▸ REN P00797 6/20 0.37
▸ LTA4H P09960 1/20 0.35
▸ GRN P28799 1/20 0.35
▸ SORT1 Q99523 1/20 0.35
▸ CYP2D6 P10635 1/20 0.34
▸ METAP2 P50579 1/20 0.34
▸ METAP1 P53582 1/20 0.34
▸ CTSK P43235 1/20 0.33

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
SCHEMBL3347419 0.98 PSEN1 (0.39) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL9800474 0.89 REN (0.45) REN
SCHEMBL9800476 0.89 REN (0.45) REN
SCHEMBL967760 0.85 GRN (0.40) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL969137 0.85 GRN (0.40) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL970762 0.85 GRN (0.40) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL968972 0.83 CYP2D6 (0.42) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7312864 0.83 PSEN1 (0.38) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL968973 0.83 CYP2D6 (0.42) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8577758 0.82 CYP2D6 (0.41) PSEN1PSEN2APH1BNCSTNAPH1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7727997-B2 N,N′-substituted-1,3-diamino-2-hydroxypropane derivatives ELAN PHARMACEUTICALS, INC. (US) 2010-06-01 — — US disclosed
US-20070213316-A1 Compounds that are effective inhibitors of beta-secretase; inhibitors of beta-secretase-mediated cleavage of amyloid precursor proteins; effective inhibitors of A beta production, and/or are effective to reduce amyloid beta deposits or plaques; treatment of disorders such as Alzheimer's Disease ELAN PHARMACEUTICALS, INC. 2007-09-13 — — US disclosed
US-7176242-B2 N,N′-substituted-1,3-diamino-2-hydroxypropane derivatives ELAN PHARMACEUTICALS, INC. (US) 2007-02-13 — — US disclosed
US-20040171881-A1 N,N'-substituted-1,3-diamino-2-hydroxypropane derivatives PHARMACIA & UPJOHN COMPANY 2004-09-02 — — 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 (2 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-20040171881-A1 N,N'-substituted-1,3-diamino-2-hydroxypropane derivatives BACE1, BACE2, PSEN1 PSEN1 3/4885PSEN2 5/4885APH1B 9/4885
US-20070213316-A1 Compounds that are effective inhibitors of beta-secretase; inhibitors of beta-secretase-mediated cleavage of amyloid precursor proteins; effective inhibitors of A beta production, and/or are effective to reduce amyloid beta deposits or plaques; treatment of disorders such as Alzheimer's Disease BACE1, BACE2, APP PSEN1 4/4885PSEN2 5/4885APH1B 6/4885

“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.