SCHEMBL3349267

SCHEMBL3349267

Cc1ccc(CNC[C@@H](O)[C@@H](N)Cc2ccccc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BCHE P06276 3/20 0.53
OPRD1 P41143 1/20 0.49
OPRK1 P41145 1/20 0.49
DNM1 Q05193 3/20 0.47
CSNK1E P49674 1/20 0.47
ANPEP P15144 1/20 0.46
ALDH1A1 P00352 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2D6 P10635 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.45
BACE1 P56817 3/20 0.45
SLC6A11 P48066 1/20 0.45
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
F2 P00734 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
SCHEMBL2605624 0.91 BCHE (0.61) BCHEOPRD1OPRK1DNM1CSNK1E
SCHEMBL496172 0.91 BCHE (0.61) BCHEOPRD1OPRK1DNM1CSNK1E
SCHEMBL3353939 0.91 BCHE (0.61) BCHEOPRD1OPRK1DNM1CSNK1E
SCHEMBL7951036 0.91 BCHE (0.61) BCHEOPRD1OPRK1DNM1CSNK1E
Hydrochloric Acid SCHEMBL497150 0.90 BCHE (0.60) BCHEOPRD1OPRK1DNM1CSNK1E
Hydrochloric Acid SCHEMBL5225060 0.90 BCHE (0.60) BCHEOPRD1OPRK1DNM1CSNK1E
SCHEMBL4038318 0.86 DNM1 (0.51) BCHEDNM1CSNK1EBACE1F2
SCHEMBL3357077 0.86 ANPEP (0.48) CSNK1EANPEPSMN1; SMN2F2
SCHEMBL6894816 0.86 BCHE (0.53) BCHEOPRD1OPRK1DNM1ANPEP
SCHEMBL3351836 0.86 BCHE (0.53) BCHEOPRD1OPRK1DNM1ANPEP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2004502669-A 2004-01-29 JP claimed
EP-1353898-A2 COMPOUNDS TO TREAT ALZHEIMER'S DISEASE Elan Pharmaceuticals, Inc. (US) 2003-10-22 EP claimed
US-20020128255-A1 Compounds to treat alzheimer's disease PHARMACIA & UPJOHN COMPANY 2002-09-12 US claimed
WO-2002002512-A2 COMPOUNDS TO TREAT ALZHEIMER'S DISEASE ELAN PHARMACEUTICALS, INC. (US) 2002-01-10 WO 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
US-20060229302-A1 Tricyclic indole derivatives and their use in the treatment of alzheimer's disease GLAXO GROUP LIMITED (GB) 2006-10-12 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-20060229302-A1 Tricyclic indole derivatives and their use in the treatment of alzheimer's disease BACE2, BACE1, PSEN2 BCHE 24/4885OPRD1 505/4885OPRK1 437/4885
US-20020128255-A1 Compounds to treat alzheimer's disease PSEN2, PSEN1, APP BCHE 12/4885OPRD1 1243/4885OPRK1 832/4885
US-20070213407-A1 Compounds to treat Alzheimer's disease PSEN2, PSEN1, CHAT BCHE 8/4885OPRD1 1404/4885OPRK1 745/4885
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 17/4885OPRD1 1104/4885OPRK1 2872/4885

“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.