SCHEMBL3352016

SCHEMBL3352016

COc1cc(CNC[C@@H](O)[C@@H](N)Cc2ccccc2)cc(OC)c1

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
BCHE P06276 4/20 0.51
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
CTSD P07339 6/20 0.48
F2 P00734 2/20 0.48
BACE1 P56817 7/20 0.47
TACR1 P25103 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
SCHEMBL4214871 0.91 BCHE (0.61) BCHEMEN1KMT2ACTSDBACE1
SCHEMBL165644 0.91 BCHE (0.61) BCHEMEN1KMT2ACTSDBACE1
Hydrochloric Acid SCHEMBL6110582 0.90 BCHE (0.60) BCHEMEN1KMT2ACTSDBACE1
Hydrochloric Acid SCHEMBL5348922 0.90 BCHE (0.60) BCHEMEN1KMT2ACTSDBACE1
SCHEMBL3350556 0.88 ANPEP (0.53) BCHEMEN1KMT2AF2
SCHEMBL5382650 0.88 ANPEP (0.47) BCHEMEN1KMT2AF2
Hydrochloric Acid SCHEMBL5219618 0.87 ANPEP (0.52) BCHEMEN1KMT2AF2
Hydrochloric Acid SCHEMBL5219504 0.86 ANPEP (0.46) BCHEMEN1KMT2AF2
SCHEMBL3354597 0.85 F2 (0.54) BCHEMEN1KMT2AF2
SCHEMBL3353572 0.84 BACE1 (0.44) CTSDBACE1

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 BCHE 12/4885MEN1 1558/4885KMT2A 1570/4885
US-20070213407-A1 Compounds to treat Alzheimer's disease PSEN2, PSEN1, CHAT BCHE 8/4885MEN1 2249/4885KMT2A 1579/4885
US-20060106256-A1 Substituted hydroxyethylamines HNMT, PNMT, BCHE BCHE 3/4885MEN1 815/4885KMT2A 110/4885
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 17/4885MEN1 2356/4885KMT2A 4650/4885

“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.