SCHEMBL1561601

SCHEMBL1561601

CCCC(C)(C)CC(C(N)=O)C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.37
HSD17B10 Q99714 1/20 0.37
CA2 P00918 2/20 0.35
CA1 P00915 1/20 0.35
MAPK1 P28482 1/20 0.32
ADRA1A P35348 2/20 0.32
TDP1 Q9NUW8 2/20 0.32
CHRM1 P11229 1/20 0.32
AKR1A1 P14550 1/20 0.32
CHRM3 P20309 1/20 0.32
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
HRH1 P35367 1/20 0.32
DRD3 P35462 1/20 0.32
SLC6A3 Q01959 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC2 Q92769 1/20 0.32
TSHR P16473 2/20 0.32
CYP3A4 P08684 1/20 0.32
NFKB1 P19838 1/20 0.32

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
SCHEMBL18775003 0.78 SLC1A2 (0.44) SLC1A2SLC1A1SLC1A3GRIK1GRIK2
SCHEMBL18775000 0.78 SLC1A2 (0.44) SLC1A2SLC1A1SLC1A3GRIK1GRIK2
SCHEMBL18762598 0.78 SLC1A2 (0.44) SLC1A2SLC1A1SLC1A3GRIK1GRIK2
SCHEMBL27602149 0.75 ACE2 (0.38) CA2MAPK1ADRA1ATDP1CHRM1
SCHEMBL3966129 0.74 CHRM1 (0.40) LMNAHSD17B10CA2CA1MAPK1
Carbamic Acid SCHEMBL29636610 0.74 LMNA (0.36) LMNAHSD17B10CA2CA1MAPK1
SCHEMBL12473062 0.73 TDP1 (0.33) LMNAHSD17B10CA2MAPK1ADRA1A
Hydrochloric Acid SCHEMBL3994474 0.73 CHRM1 (0.39) LMNAHSD17B10CA2MAPK1ADRA1A
SCHEMBL24286170 0.71 CA2 (0.31) CA2MAPK1ADRA1ATDP1CHRM1
SCHEMBL3077308 0.71 S1PR2 (0.37) LMNAHSD17B10TDP1SLC1A2SLC1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1828151-B1 MALONAMIDE DERIVATIVES AS INHIBITORS OF GAMMA-SECRETASE FOR THE TREATMENT OF ALZHEIMER'S DISEASE HOFFMANN LA ROCHE (CH) 2011-04-06 EP disclosed
EP-1828151-A2 MALONAMIDE DERIVATIVES AS INHIBITORS OF GAMMA-SECRETASE FOR THE TREATMENT OF ALZHEIMER'S DISEASE F.HOFFMANN-LA ROCHE AG (CH) 2007-09-05 EP disclosed
US-7211573-B2 Malonamide derivatives HOFFMANN-LA ROCHE INC. (US) 2007-05-01 US disclosed
WO-2006061136-A2 MALONAMIDE DERIVATIVES AS INHIBITORS OF GAMMA-SECRETASE FOR THE TREATMENT OF ALZHEIMER’S DISEASE F. HOFFMANN-LA ROCHE AG (CH) 2006-06-15 WO disclosed
US-20060122168-A1 Malonamide derivatives F. HOFFMANN-LA ROCHE AG (CH) 2006-06-08 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 (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-20060122168-A1 Malonamide derivatives ACE, REN, ME1 LMNA 2948/4885HSD17B10 463/4885CA2 513/4885

“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.