SCHEMBL3351836

SCHEMBL3351836

N[C@@H](Cc1ccccc1)[C@H](O)CNCc1ccc(Cl)cc1

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
BCHE P06276 2/20 0.53
GAA P10253 1/20 0.49
DNM1 Q05193 3/20 0.47
OPRD1 P41143 1/20 0.46
OPRK1 P41145 1/20 0.46
SLC6A4 P31645 1/20 0.46
ANPEP P15144 1/20 0.46
BACE1 P56817 2/20 0.45
SLC6A11 P48066 1/20 0.45
LMNA P02545 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
SCHEMBL6894816 1.00 BCHE (0.53) BCHEGAADNM1OPRD1OPRK1
SCHEMBL3353939 0.91 BCHE (0.61) BCHEDNM1OPRD1OPRK1ANPEP
SCHEMBL496172 0.91 BCHE (0.61) BCHEDNM1OPRD1OPRK1ANPEP
SCHEMBL7951036 0.91 BCHE (0.61) BCHEDNM1OPRD1OPRK1ANPEP
SCHEMBL2605624 0.91 BCHE (0.61) BCHEDNM1OPRD1OPRK1ANPEP
Hydrochloric Acid SCHEMBL497150 0.90 BCHE (0.60) BCHEDNM1OPRD1OPRK1ANPEP
Hydrochloric Acid SCHEMBL5225060 0.90 BCHE (0.60) BCHEDNM1OPRD1OPRK1ANPEP
SCHEMBL3349419 0.87 BCHE (0.49) BCHEDNM1OPRD1OPRK1ANPEP
SCHEMBL3348102 0.86 ANPEP (0.48) BCHESLC6A4ANPEPLMNA
SCHEMBL6890169 0.86 ANPEP (0.48) BCHESLC6A4ANPEPLMNA

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-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-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 (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-20020128255-A1 Compounds to treat alzheimer's disease PSEN2, PSEN1, APP BCHE 12/4885GAA 106/4885DNM1 797/4885
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 17/4885GAA 252/4885DNM1 828/4885

“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.