SCHEMBL3354050

SCHEMBL3354050

C[C@@H](NC[C@@H](O)[C@@H](N)Cc1ccccc1)c1cccc2ccccc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 5/20 0.53
METAP1 P53582 5/20 0.53
BCHE P06276 1/20 0.47
CASR P41180 3/20 0.45
EPHX2 P34913 2/20 0.45
F2 P00734 1/20 0.45
ACP3 P15309 1/20 0.44
MLNR O43193 1/20 0.43
ABCB11 O95342 1/20 0.43
ADRB1 P08588 1/20 0.43
ADORA3 P0DMS8 1/20 0.43
CYP2D6 P10635 1/20 0.43
CHRM1 P11229 1/20 0.43
DRD2 P14416 1/20 0.43
ADRA2C P18825 1/20 0.43
CHRM3 P20309 1/20 0.43
GLRA1 P23415 1/20 0.43
SLC6A2 P23975 1/20 0.43
HTR2C P28335 1/20 0.43
AVPR2 P30518 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
SCHEMBL3351722 1.00 METAP2 (0.53) METAP2METAP1BCHECASREPHX2
SCHEMBL6895040 1.00 METAP2 (0.53) METAP2METAP1BCHECASREPHX2
SCHEMBL7612959 0.81 METAP2 (0.49) METAP2METAP1BCHEEPHX2ACP3
SCHEMBL7612965 0.81 METAP2 (0.49) METAP2METAP1BCHEEPHX2ACP3
SCHEMBL7610434 0.81 METAP2 (0.47) METAP2METAP1BCHECASREPHX2
SCHEMBL7610441 0.81 METAP2 (0.47) METAP2METAP1BCHECASREPHX2
SCHEMBL7610450 0.81 METAP2 (0.47) METAP2METAP1BCHECASREPHX2
SCHEMBL3352220 0.80 BCHE (0.70) BCHEF2SLC6A2SLC6A4SLC6A3
SCHEMBL3347420 0.80 BCHE (0.70) BCHEF2SLC6A2SLC6A4SLC6A3
SCHEMBL3350343 0.80 BCHE (0.70) BCHEF2SLC6A2SLC6A4SLC6A3

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 METAP2 744/4885METAP1 505/4885BCHE 12/4885
US-20070213407-A1 Compounds to treat Alzheimer's disease PSEN2, PSEN1, CHAT METAP2 928/4885METAP1 674/4885BCHE 8/4885
US-20060106256-A1 Substituted hydroxyethylamines HNMT, PNMT, BCHE METAP2 367/4885METAP1 461/4885BCHE 3/4885
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 1100/4885METAP1 489/4885BCHE 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.