SCHEMBL3352913

SCHEMBL3352913

N[C@@H](Cc1ccccc1)[C@H](O)CNCCc1ccc(Cl)cc1Cl

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 7/20 0.55
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
HPGD P15428 1/20 0.50
HDAC8 Q9BY41 4/20 0.48
PLAAT3 P53816 1/20 0.46
PLAAT5 Q96KN8 1/20 0.46
PLAAT2 Q9NWW9 1/20 0.46
PLAAT4 Q9UL19 1/20 0.46
TAAR1 Q96RJ0 1/20 0.45
ATM Q13315 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
METAP1 P53582 4/20 0.42
MGLL Q99685 1/20 0.41
F2 P00734 1/20 0.41
CTSD P07339 1/20 0.41

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
Hydrochloric Acid SCHEMBL5217997 0.99 METAP2 (0.54) METAP2MEN1KMT2AHPGDHDAC8
SCHEMBL3355660 0.88 OPRK1 (0.50) METAP2MEN1KMT2AHPGDHDAC8
Hydrochloric Acid SCHEMBL5222955 0.86 METAP2 (0.42) METAP2MEN1KMT2APLAAT3PLAAT5
SCHEMBL3351268 0.84 ALDH1A1 (0.47) MEN1KMT2AHPGDPLAAT3PLAAT5
SCHEMBL6890169 0.84 ANPEP (0.48) MEN1KMT2APLAAT3PLAAT5PLAAT2
SCHEMBL3348102 0.84 ANPEP (0.48) MEN1KMT2APLAAT3PLAAT5PLAAT2
Hydrochloric Acid SCHEMBL5218955 0.83 LMNA (0.48) MEN1KMT2AHPGDPLAAT3PLAAT5
Hydrochloric Acid SCHEMBL5220285 0.83 ANPEP (0.47) MEN1KMT2APLAAT3PLAAT5PLAAT2
SCHEMBL7051158 0.82 MEN1 (0.54) METAP2MEN1KMT2AHPGDHDAC8
SCHEMBL7051160 0.82 MEN1 (0.54) METAP2MEN1KMT2AHPGDHDAC8

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 6 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-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 (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 METAP2 744/4885MEN1 1558/4885KMT2A 1570/4885
US-20060106256-A1 Substituted hydroxyethylamines HNMT, PNMT, BCHE METAP2 367/4885MEN1 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 METAP2 1100/4885MEN1 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.