SCHEMBL3357054

SCHEMBL3357054

N[C@@H](Cc1ccccc1)[C@H](O)CNCc1ccccc1Cl

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.50
DNM1 Q05193 1/20 0.46
BCHE P06276 5/20 0.46
MEN1 O00255 1/20 0.43
TP53 P04637 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
RECQL P46063 1/20 0.43
KMT2A Q03164 1/20 0.43
CHRM2 P08172 1/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
F2 P00734 1/20 0.43
CSNK1E P49674 1/20 0.43

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
SCHEMBL3354948 0.91 SMN1; SMN2 (0.45) LMNADNM1BCHECYP3A4CYP2D6
SCHEMBL3355660 0.87 OPRK1 (0.50) LMNABCHEMEN1CYP3A4CYP2D6
Hydrochloric Acid SCHEMBL5222955 0.85 METAP2 (0.42) LMNABCHEMEN1KMT2AF2
SCHEMBL6894923 0.84 BCHE (0.47) BCHEF2CSNK1E
SCHEMBL3349188 0.84 BCHE (0.47) BCHEF2CSNK1E
SCHEMBL496172 0.84 BCHE (0.61) LMNADNM1BCHEMEN1CYP2D6
SCHEMBL3353939 0.84 BCHE (0.61) LMNADNM1BCHEMEN1CYP2D6
SCHEMBL2605624 0.84 BCHE (0.61) LMNADNM1BCHEMEN1CYP2D6
SCHEMBL7951036 0.84 BCHE (0.61) LMNADNM1BCHEMEN1CYP2D6
SCHEMBL3352254 0.83 BCHE (0.48) DNM1BCHECHRM2ALDH1A1F2

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 5 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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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 2308/4885DNM1 797/4885BCHE 12/4885
US-20070213407-A1 Compounds to treat Alzheimer's disease PSEN2, PSEN1, CHAT LMNA 2675/4885DNM1 1107/4885BCHE 8/4885
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 479/4885DNM1 828/4885BCHE 17/4885

“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.