SCHEMBL3348880

SCHEMBL3348880

N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNCc1cccc(Cl)c1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.50
BACE1 P56817 10/20 0.48
CTSD P07339 3/20 0.48
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C19 P33261 1/20 0.45
DNM1 Q05193 1/20 0.45
CTSB P07858 1/20 0.44
CHRM2 P08172 1/20 0.43
PNMT P11086 1/20 0.41
ADRA1D P25100 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
HDAC1 Q13547 1/20 0.39

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
SCHEMBL3351909 0.90 BACE1 (0.52) BACE1CTSDCTSB
SCHEMBL3350317 0.87 LMNA (0.61) LMNABACE1DNM1CHRM2PNMT
SCHEMBL6892334 0.87 LMNA (0.61) LMNABACE1DNM1CHRM2PNMT
SCHEMBL3357034 0.86 BCHE (0.49) BACE1CTSD
SCHEMBL3349064 0.85 BACE1 (0.53) BACE1CTSDCTSB
SCHEMBL5368307 0.85 BACE1 (0.48) BACE1CTSDCYP1A2CYP2D6CYP2C19
SCHEMBL3354961 0.85 BACE1 (0.48) BACE1CTSDCYP1A2CYP2D6CYP2C19
SCHEMBL2874563 0.85 BACE1 (0.53) BACE1CTSDCTSB
SCHEMBL3352827 0.85 BACE1 (0.57) BACE1CTSDDNM1CTSB
SCHEMBL3356792 0.85 BACE1 (0.59) BACE1CTSDCTSB

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 LMNA 2308/4885BACE1 4/4885CTSD 2080/4885
US-20070213407-A1 Compounds to treat Alzheimer's disease PSEN2, PSEN1, CHAT LMNA 2675/4885BACE1 7/4885CTSD 1351/4885
US-20060106256-A1 Substituted hydroxyethylamines HNMT, PNMT, BCHE LMNA 1652/4885BACE1 26/4885CTSD 1109/4885
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 LMNA 479/4885BACE1 1/4885CTSD 96/4885

“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.