SCHEMBL3469029

SCHEMBL3469029

C#CCNC[C@@H](O)[C@@H](N)Cc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK1E P49674 1/20 0.49
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
TSHR P16473 1/20 0.47
F2 P00734 2/20 0.45
MAOA P21397 2/20 0.44
KDM1A O60341 2/20 0.44
MAOB P27338 1/20 0.44
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
SLC6A4 P31645 1/20 0.41
SLC6A3 Q01959 1/20 0.41
SIGMAR1 Q99720 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
SCHEMBL7300383 0.85 CSNK1E (0.54) CSNK1EF2MAOAEPHX1BCHE
SCHEMBL4688760 0.85 CSNK1E (0.49) CSNK1EF2MAOAEPHX1BCHE
Hydrochloric Acid SCHEMBL7310009 0.84 CSNK1E (0.53) CSNK1EF2MAOAEPHX1BCHE
SCHEMBL3355611 0.83 CSNK1E (0.56) CSNK1EF2MAOAEPHX1BCHE
SCHEMBL4692426 0.82 CSNK1E (0.50) CSNK1EF2EPHX1BCHELAP3
SCHEMBL1286638 0.81 CSNK1E (0.51) CSNK1ECYP2D6F2MAOAEPHX1
SCHEMBL6895260 0.81 CSNK1E (0.51) CSNK1ECYP1A2CYP2D6F2MAOA
Hydrochloric Acid SCHEMBL5218959 0.81 CSNK1E (0.55) CSNK1EF2MAOAEPHX1BCHE
SCHEMBL1286637 0.81 CSNK1E (0.51) CSNK1ECYP2D6F2MAOAEPHX1
SCHEMBL1057036 0.81 CSNK1E (0.51) CSNK1ECYP2D6F2MAOAEPHX1

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 13 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
WO-2010107384-A1 ASPARTYL PROTEASE INHIBITORS MEDIVIR AB (SE) 2010-09-23 WO disclosed
US-7557137-B2 Gamma-lactams as beta-secretase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2009-07-07 US disclosed
US-7557137-B2 Gamma-lactams as beta-secretase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2009-07-07 US disclosed
US-7498436-B2 Substituted hydroxyethylamines PHARMACIA & UPJOHN COMPANY LLC (US) 2009-03-03 US disclosed
EP-1692143-B1 TRICYCLIC INDOLE HYDROXYETHYLAMINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF ALZHEIMER'S DISEASE GLAXO GROUP LTD (GB) 2008-11-12 EP disclosed
US-20070265331-A1 Novel gamma-lactams as beta-secretase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2007-11-15 US disclosed
US-20070265331-A1 Novel gamma-lactams as beta-secretase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2007-11-15 US disclosed
US-20070213407-A1 Compounds to treat Alzheimer's disease ELAN PHARMACEUTICALS AND PHARMACIA & UPJOHN COMPANY LLC 2007-09-13 US disclosed
US-20060229302-A1 Tricyclic indole derivatives and their use in the treatment of alzheimer's disease GLAXO GROUP LIMITED (GB) 2006-10-12 US disclosed
WO-2006103088-A1 NOVEL HYDROXYETHYLAMINE AND KETONE COMPOUNDS HAVING ASP2 INHIBITORY ACTIVITY GLAXO GROUP LIMITED (GB) 2006-10-05 WO disclosed
US-20060106256-A1 Substituted hydroxyethylamines PHARMACIA & UPJOHN COMPANY 2006-05-18 US disclosed
WO-2004013098-A1 NOVEL GAMMA-LACTAMS AS BETA-SECRETASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2004-02-12 WO 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 (5 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-20060229302-A1 Tricyclic indole derivatives and their use in the treatment of alzheimer's disease BACE2, BACE1, PSEN2 CSNK1E 580/4885CYP1A2 792/4885CYP3A4 1874/4885
US-20020128255-A1 Compounds to treat alzheimer's disease PSEN2, PSEN1, APP CSNK1E 2024/4885CYP1A2 226/4885CYP3A4 1415/4885
US-20070213407-A1 Compounds to treat Alzheimer's disease PSEN2, PSEN1, CHAT CSNK1E 1817/4885CYP1A2 823/4885CYP3A4 1901/4885
US-20070265331-A1 Novel gamma-lactams as beta-secretase inhibitors BACE1, APP, BACE2 CSNK1E 209/4885CYP1A2 1356/4885CYP3A4 1372/4885
US-20060106256-A1 Substituted hydroxyethylamines HNMT, PNMT, BCHE CSNK1E 3282/4885CYP1A2 230/4885CYP3A4 459/4885

“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.