SCHEMBL5224064

SCHEMBL5224064

CCCC[C@H](N)C(=O)NCC(C)C

nearest known ligand 0.66

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DPP7 Q9UHL4 10/20 0.66
SLC15A1 P46059 1/20 0.61
GNAI3 P08754 1/20 0.53
GNAO1 P09471 1/20 0.53
GNAI1 P63096 1/20 0.53
DPP8 Q6V1X1 8/20 0.51
DPP9 Q86TI2 7/20 0.51
DPP4 P27487 4/20 0.51
RRM1 P23921 1/20 0.51
EPHX1 P07099 1/20 0.47
TLR2 O60603 2/20 0.47
SLC1A3 P43003 1/20 0.44
SLC1A2 P43004 1/20 0.44
SLC1A1 P43005 1/20 0.44
METAP1 P53582 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C19 P33261 1/20 0.42

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
SCHEMBL27789284 1.00 DPP7 (0.66) DPP7SLC15A1GNAI3GNAO1GNAI1
Hydrochloric Acid SCHEMBL4824669 0.98 DPP7 (0.64) DPP7SLC15A1GNAI3GNAO1GNAI1
SCHEMBL25015353 0.95 DPP7 (0.64) DPP7SLC15A1GNAI3GNAO1GNAI1
SCHEMBL7306160 0.84 DPP7 (0.74) DPP7SLC15A1GNAI3GNAO1GNAI1
SCHEMBL22369853 0.84 GNAI3 (0.59) DPP7SLC15A1GNAI3GNAO1GNAI1
SCHEMBL13752034 0.84 DPP7 (0.74) DPP7SLC15A1GNAI3GNAO1GNAI1
SCHEMBL24907137 0.82 DPP7 (0.72) DPP7SLC15A1GNAI3GNAO1GNAI1
SCHEMBL5673337 0.81 DPP7 (0.89) DPP7SLC15A1GNAI3GNAO1GNAI1
SCHEMBL3806649 0.81 DPP7 (0.82) DPP7SLC15A1GNAI3GNAO1GNAI1
SCHEMBL7277162 0.81 EPHX1 (0.50) DPP7SLC15A1EPHX1CYP2D6CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101781268-B Isothiazolone substituted benzene dicarboxylic acid derivatives and their use for preparing beta-secretase inhibitors INST PHARM & TOXICOLOGY AMMS 2012-05-30 CN disclosed
US-7253198-B2 Hydroxyethylamine derivatives for the treatment of Alzheimer's disease GLAXO GROUP LIMITED (GB) 2007-08-07 US disclosed
EP-1567488-B1 HYDROXYETHYLAMINE DERIVATIVES FOR THE TREATMENT OF ALZHEIMER'S DISEASE GLAXO GROUP LTD (GB) 2007-02-21 EP disclosed
EP-1656359-A2 MACROCYCLIC BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE Merck & Co., Inc. (US) 2006-05-17 EP disclosed
US-20060025459-A1 Hydroxyethylamine derivatives for the treatment of alzheimer's disease GLAXO GROUP LIMITED (GB) 2006-02-02 US disclosed
EP-1567488-A1 HYDROXYETHYLAMINE DERIVATIVES FOR THE TREATMENT OF ALZHEIMER'S DISEASE GLAXO GROUP LIMITED (GB) 2005-08-31 EP disclosed
WO-2005018545-A2 MACROCYCLIC BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE MERCK & CO., INC. (US) 2005-03-03 WO disclosed
WO-2004050619-A1 HYDROXYETHYLAMINE DERIVATIVES FOR THE TREATMENT OF ALZHEIMER'S DISEASE GLAXO GROUP LIMITED (GB) 2004-06-17 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-20060025459-A1 Hydroxyethylamine derivatives for the treatment of alzheimer's disease BACE2, PSEN2, BACE1 DPP7 349/4885SLC15A1 3312/4885GNAI3 2943/4885

“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.