SCHEMBL3351744

SCHEMBL3351744

CCC(O)CNC[C@@H](O)[C@@H](N)Cc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK1E P49674 1/20 0.52
TRPA1 O75762 1/20 0.46
F2 P00734 2/20 0.45
EPHX1 P07099 1/20 0.43
BCHE P06276 2/20 0.43
LAP3 P28838 3/20 0.41
ANPEP P15144 1/20 0.41
RNPEP Q9H4A4 1/20 0.41
DNPEP Q9ULA0 1/20 0.41
SLC6A2 P23975 2/20 0.41
TAAR1 Q96RJ0 2/20 0.41
MAOA P21397 1/20 0.41
SLC6A4 P31645 1/20 0.41
SLC6A3 Q01959 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
CYP2A6 P11509 1/20 0.41
ADORA2A P29274 1/20 0.41
ADORA1 P30542 1/20 0.41
MMP2 P08253 2/20 0.40
SLC15A1 P46059 1/20 0.40

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
SCHEMBL7300383 0.89 CSNK1E (0.54) CSNK1EF2EPHX1BCHELAP3
SCHEMBL4692587 0.88 CSNK1E (0.52) CSNK1ETRPA1F2EPHX1BCHE
Hydrochloric Acid SCHEMBL7310009 0.87 CSNK1E (0.53) CSNK1EF2EPHX1BCHELAP3
SCHEMBL3355611 0.86 CSNK1E (0.56) CSNK1ETRPA1F2EPHX1BCHE
SCHEMBL4689859 0.84 CSNK1E (0.48) CSNK1EF2EPHX1BCHELAP3
Hydrochloric Acid SCHEMBL5218959 0.84 CSNK1E (0.55) CSNK1ETRPA1F2EPHX1BCHE
SCHEMBL1286638 0.84 CSNK1E (0.51) CSNK1ETRPA1F2EPHX1BCHE
SCHEMBL6895260 0.84 CSNK1E (0.51) CSNK1ETRPA1F2EPHX1BCHE
SCHEMBL1286637 0.84 CSNK1E (0.51) CSNK1ETRPA1F2EPHX1BCHE
SCHEMBL1057036 0.84 CSNK1E (0.51) CSNK1ETRPA1F2EPHX1BCHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2004502669-A 2004-01-29 JP claimed
EP-1353898-A2 COMPOUNDS TO TREAT ALZHEIMER'S DISEASE Elan Pharmaceuticals, Inc. (US) 2003-10-22 EP claimed
US-20020128255-A1 Compounds to treat alzheimer's disease PHARMACIA & UPJOHN COMPANY 2002-09-12 US claimed
WO-2002002512-A2 COMPOUNDS TO TREAT ALZHEIMER'S DISEASE ELAN PHARMACEUTICALS, INC. (US) 2002-01-10 WO 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 CSNK1E 2024/4885TRPA1 3165/4885F2 1807/4885
US-20070213407-A1 Compounds to treat Alzheimer's disease PSEN2, PSEN1, CHAT CSNK1E 1817/4885TRPA1 2601/4885F2 2890/4885
US-20060106256-A1 Substituted hydroxyethylamines HNMT, PNMT, BCHE CSNK1E 3282/4885TRPA1 4445/4885F2 4578/4885
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 CSNK1E 683/4885TRPA1 4628/4885F2 986/4885

“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.