SCHEMBL3349998

SCHEMBL3349998

N[C@@H](Cc1ccccc1)[C@H](O)CN[C@@H]1c2ccccc2C[C@@H]1O

nearest known ligand 0.47

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
VIPR2 P41587 17/20 0.43
MMP9 P14780 2/20 0.43
MMP1 P03956 1/20 0.41
MMP2 P08253 1/20 0.41
MMP8 P22894 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
SCHEMBL5221659 1.00 VIPR2 (0.43) VIPR2MMP9MMP1MMP2MMP8
SCHEMBL7612571 0.81 VIPR2 (0.47) VIPR2MMP9MMP1MMP2MMP8
SCHEMBL7612578 0.81 VIPR2 (0.47) VIPR2MMP9MMP1MMP2MMP8
SCHEMBL9565572 0.79 VIPR2 (0.60) VIPR2MMP9MMP1MMP2MMP8
SCHEMBL9565577 0.79 VIPR2 (0.60) VIPR2MMP9MMP1MMP2MMP8
SCHEMBL9565574 0.79 VIPR2 (0.60) VIPR2MMP9MMP1MMP2MMP8
SCHEMBL5394038 0.78 KLK5 (0.51) VIPR2
SCHEMBL5394031 0.78 KLK5 (0.51) VIPR2
SCHEMBL5379247 0.78 KLK5 (0.51) VIPR2
SCHEMBL5379243 0.78 KLK5 (0.51) VIPR2

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 8 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-7498436-B2 Substituted hydroxyethylamines PHARMACIA & UPJOHN COMPANY LLC (US) 2009-03-03 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
EP-1567488-B1 HYDROXYETHYLAMINE DERIVATIVES FOR THE TREATMENT OF ALZHEIMER'S DISEASE GLAXO GROUP LTD (GB) 2007-02-21 EP disclosed
US-7176242-B2 N,N′-substituted-1,3-diamino-2-hydroxypropane derivatives ELAN PHARMACEUTICALS, INC. (US) 2007-02-13 US disclosed
US-20060106256-A1 Substituted hydroxyethylamines PHARMACIA & UPJOHN COMPANY 2006-05-18 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 (4 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 VIPR2 1228/4885MMP9 2164/4885MMP1 2427/4885
US-20070213407-A1 Compounds to treat Alzheimer's disease PSEN2, PSEN1, CHAT VIPR2 1129/4885MMP9 1958/4885MMP1 3330/4885
US-20060106256-A1 Substituted hydroxyethylamines HNMT, PNMT, BCHE VIPR2 1579/4885MMP9 2262/4885MMP1 3115/4885
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 VIPR2 3045/4885MMP9 498/4885MMP1 633/4885

“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.