SCHEMBL3348531

SCHEMBL3348531

N[C@@H](Cc1ccccc1)[C@H](O)CNCc1ccccc1F

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
BCHE P06276 6/20 0.46
F2 P00734 1/20 0.43
CSNK1E P49674 1/20 0.43
KMT2A Q03164 2/20 0.41
MPO P05164 2/20 0.41
LMNA P02545 1/20 0.41
MEN1 O00255 1/20 0.41
SLC6A4 P31645 1/20 0.40
MMP2 P08253 1/20 0.40
EPHX1 P07099 1/20 0.40
BACE1 P56817 1/20 0.39

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
SCHEMBL6895727 1.00 BCHE (0.46) BCHEF2CSNK1EKMT2AMPO
SCHEMBL3349203 0.86 MPO (0.46) BCHEF2CSNK1EKMT2AMPO
SCHEMBL3349188 0.84 BCHE (0.47) BCHEF2CSNK1EMMP2EPHX1
SCHEMBL6894923 0.84 BCHE (0.47) BCHEF2CSNK1EMMP2EPHX1
SCHEMBL496172 0.84 BCHE (0.61) BCHEF2CSNK1EKMT2ALMNA
SCHEMBL2605624 0.84 BCHE (0.61) BCHEF2CSNK1EKMT2ALMNA
SCHEMBL7951036 0.84 BCHE (0.61) BCHEF2CSNK1EKMT2ALMNA
SCHEMBL3353939 0.84 BCHE (0.61) BCHEF2CSNK1EKMT2ALMNA
SCHEMBL3352254 0.83 BCHE (0.48) BCHEF2CSNK1EBACE1
SCHEMBL3357054 0.83 LMNA (0.50) BCHEF2CSNK1EKMT2ALMNA

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 5 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
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-20070213407-A1 Compounds to treat Alzheimer's disease ELAN PHARMACEUTICALS AND PHARMACIA & UPJOHN COMPANY LLC 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

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 BCHE 12/4885F2 1807/4885CSNK1E 2024/4885
US-20070213407-A1 Compounds to treat Alzheimer's disease PSEN2, PSEN1, CHAT BCHE 8/4885F2 2890/4885CSNK1E 1817/4885
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 BCHE 17/4885F2 986/4885CSNK1E 683/4885

“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.