SCHEMBL3351063

SCHEMBL3351063

CCCN(CCC)C(=O)c1cccc(C(N)=O)c1[C@H](Cc1ccccc1)[C@@H](O)CNCCc1ccc(Cl)cc1Cl

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
METAP2 P50579 1/20 0.40
BACE1 P56817 8/20 0.40
CTSD P07339 6/20 0.40
HPGD P15428 1/20 0.39
PLAAT3 P53816 1/20 0.39
PLAAT5 Q96KN8 1/20 0.39
PLAAT2 Q9NWW9 1/20 0.39
PLAAT4 Q9UL19 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HAT1 O14929 1/20 0.37
EP300 Q09472 1/20 0.37
ATM Q13315 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
TAAR1 Q96RJ0 1/20 0.36
CD38 P28907 1/20 0.36

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
SCHEMBL3348813 0.92 BACE1 (0.44) BACE1CTSDATML3MBTL1CD38
SCHEMBL3356774 0.90 BACE1 (0.42) MEN1KMT2ABACE1CTSDHPGD
SCHEMBL3349922 0.89 BACE1 (0.41) MEN1KMT2ABACE1CTSDTAAR1
SCHEMBL3347550 0.85 BACE1 (0.40) KMT2ABACE1CTSD
SCHEMBL5375807 0.85 BACE1 (0.50) BACE1CTSD
SCHEMBL3348724 0.85 BACE1 (0.43) BACE1CTSD
SCHEMBL3354472 0.84 BACE1 (0.47) BACE1CTSD
SCHEMBL3354723 0.84 BACE1 (0.43) BACE1CTSD
SCHEMBL3354745 0.84 BACE1 (0.43) BACE1CTSD
SCHEMBL3351487 0.83 BACE1 (0.45) BACE1CTSD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (1 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-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 MEN1 2356/4885KMT2A 4650/4885METAP2 1100/4885

“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.