SCHEMBL3356645

SCHEMBL3356645

N[C@@H](Cc1ccccc1)[C@H](O)CNCCCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 7/20 0.53
CSNK1E P49674 1/20 0.49
KCNH2 Q12809 1/20 0.46
ANPEP P15144 1/20 0.46
ERAP2 Q6P179 1/20 0.46
F2 P00734 1/20 0.45
MPO P05164 1/20 0.44

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
SCHEMBL6887457 1.00 SIGMAR1 (0.53) SIGMAR1CSNK1EKCNH2ANPEPERAP2
SCHEMBL4049171 1.00 SIGMAR1 (0.53) SIGMAR1CSNK1EKCNH2ANPEPERAP2
SCHEMBL6892570 0.95 SIGMAR1 (0.53) SIGMAR1CSNK1E
SCHEMBL3356781 0.95 SIGMAR1 (0.53) SIGMAR1CSNK1E
SCHEMBL4036975 0.95 SIGMAR1 (0.53) SIGMAR1CSNK1E
SCHEMBL14627960 0.92 CSNK1E (0.53) CSNK1EANPEPERAP2F2
SCHEMBL496056 0.91 ANPEP (0.55) SIGMAR1CSNK1EKCNH2ANPEPERAP2
SCHEMBL3347864 0.91 ANPEP (0.55) SIGMAR1CSNK1EKCNH2ANPEPERAP2
SCHEMBL4044665 0.91 ANPEP (0.55) SIGMAR1CSNK1EKCNH2ANPEPERAP2
SCHEMBL4696783 0.91 ANPEP (0.55) SIGMAR1CSNK1EKCNH2ANPEPERAP2

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 7 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
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 SIGMAR1 1213/4885CSNK1E 2024/4885KCNH2 1950/4885
US-20070213407-A1 Compounds to treat Alzheimer's disease PSEN2, PSEN1, CHAT SIGMAR1 1832/4885CSNK1E 1817/4885KCNH2 1857/4885
US-20060106256-A1 Substituted hydroxyethylamines HNMT, PNMT, BCHE SIGMAR1 1023/4885CSNK1E 3282/4885KCNH2 2737/4885
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 SIGMAR1 4037/4885CSNK1E 683/4885KCNH2 3921/4885

“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.