SCHEMBL3352432

SCHEMBL3352432

COCCCNC[C@@H](O)[C@@H](N)Cc1cc(F)cc(F)c1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
KMT2A Q03164 1/20 0.42
ADRB1 P08588 1/20 0.34
BACE1 P56817 14/20 0.34
CTSD P07339 2/20 0.34
REN P00797 1/20 0.33
CTSB P07858 1/20 0.33
F2 P00734 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
MAPK1 P28482 1/20 0.32
CYP2C19 P33261 1/20 0.32

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
SCHEMBL3349058 0.85 CSNK1E (0.40) ADRB1BACE1CTSDRENCTSB
SCHEMBL3349730 0.82 BACE1 (0.42) KDM4EALDH1A1BACE1CTSDCTSB
SCHEMBL3355926 0.82 CSNK1E (0.48) KDM4EALDH1A1KMT2ARENF2
SCHEMBL3346966 0.80 LAP3 (0.39) KMT2AADRB1BACE1CTSD
SCHEMBL3349845 0.80 BACE1 (0.47) BACE1CTSDCTSB
SCHEMBL3349839 0.80 BACE1 (0.47) BACE1CTSDCTSB
SCHEMBL3351390 0.79 BACE1 (0.38) ADRB1BACE1CTSDCTSBF2
SCHEMBL3355984 0.79 ANPEP (0.39) ADRB1BACE1CTSDCYP2C19
SCHEMBL3350430 0.78 BACE1 (0.40) ADRB1BACE1CTSD
SCHEMBL3352638 0.78 BACE1 (0.44) ADRB1BACE1CTSDCTSB

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 10 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-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 KDM4E 2432/4885ALDH1A1 391/4885KMT2A 1570/4885
US-20070213407-A1 Compounds to treat Alzheimer's disease PSEN2, PSEN1, CHAT KDM4E 1983/4885ALDH1A1 524/4885KMT2A 1579/4885
US-20060106256-A1 Substituted hydroxyethylamines HNMT, PNMT, BCHE KDM4E 242/4885ALDH1A1 589/4885KMT2A 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 KDM4E 4082/4885ALDH1A1 2133/4885KMT2A 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.