SCHEMBL4522966

SCHEMBL4522966

CC=CCN(CCC)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.40
CA2 P00918 3/20 0.40
CA9 Q16790 3/20 0.40
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
TP53 P04637 1/20 0.34
CA1 P00915 2/20 0.33
FFAR3 O14843 2/20 0.32
HDAC3 O15379 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC2 Q92769 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
TERT O14746 3/20 0.31
MAPT P10636 2/20 0.31
BLM P54132 2/20 0.31
HSD17B10 Q99714 2/20 0.31
FABP4 P15090 2/20 0.31
F7 P08709 2/20 0.31

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
SCHEMBL4522963 1.00 CA12 (0.40) CA12CA2CA9ALDH1A1HPGD
SCHEMBL5933534 0.84 GRIK1 (0.32) ALDH1A1FFAR3
SCHEMBL2086403 0.78 CA12 (0.43) CA12CA2CA9ALDH1A1HPGD
SCHEMBL41505 0.77 CA12 (0.55) CA12CA2CA9ALDH1A1HPGD
SCHEMBL23666546 0.75 CA12 (0.33) CA12CA2CA9ALDH1A1HPGD
Hydrochloric Acid SCHEMBL10822973 0.74 CA12 (0.52) CA12CA2CA9ALDH1A1HPGD
Bromide SCHEMBL11753648 0.74 CA12 (0.52) CA12CA2CA9ALDH1A1HPGD
SCHEMBL331800 0.72
SCHEMBL1964728 0.72 CA12 (0.44) CA12CA2CA9ALDH1A1HPGD
SCHEMBL1964727 0.72 CA12 (0.44) CA12CA2CA9ALDH1A1HPGD

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
EP-1697308-B1 PHENYLAMIDE AND PYRIDYLAMIDE BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE MERCK SHARP & DOHME (US) 2014-03-19 EP disclosed
US-7550481-B2 Phenylamide and pyridylamide beta-secretase inhibitors for the treatment of Alzheimer's disease MERCK & CO., INC. (US) 2009-06-23 US disclosed
EP-1697308-A4 PHENYLAMIDE AND PYRIDYLAMIDE BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER S DISEASE MERCK & CO INC (US) 2007-08-22 EP disclosed
US-20070142634-A1 Phenylamide and pyridylamide beta-secretase inhibitors for the treatment of alzheimer's disease MERCK SHARP & DOHME LLC 2007-06-21 US disclosed
EP-1697308-A2 PHENYLAMIDE AND PYRIDYLAMIDE BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER S DISEASE Merck & Co., Inc. (US) 2006-09-06 EP disclosed
WO-2005065195-A2 PHENYLAMIDE AND PYRIDYLAMIDE BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE MERCK & CO., INC. (US) 2005-07-21 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 (1 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-20070142634-A1 Phenylamide and pyridylamide beta-secretase inhibitors for the treatment of alzheimer's disease BACE1, BACE2, APP CA12 4115/4885CA2 2902/4885CA9 3377/4885

“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.