SCHEMBL292337

SCHEMBL292337

Nc1c[c]cc(C2CCCCC2)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.38
MAPT P10636 2/20 0.35
KDM4E B2RXH2 2/20 0.35
GFER P55789 1/20 0.35
KMT2A Q03164 2/20 0.34
TDP1 Q9NUW8 2/20 0.34
HSP90AA1 P07900 1/20 0.34
GAA P10253 1/20 0.34
EPHX2 P34913 2/20 0.33
HRH4 Q9H3N8 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
HTR1D P28221 1/20 0.33
NPC1 O15118 1/20 0.33
ALDH1A1 P00352 1/20 0.33
RAB9A P51151 1/20 0.33
KMO O15229 1/20 0.33
DAO P14920 1/20 0.32
CYP11B2 P19099 1/20 0.32
GLA P06280 1/20 0.32
HTT P42858 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
SCHEMBL28111660 0.90
SCHEMBL2254634 0.87 CYP11B2 (0.39) BACE1MAPTKDM4EKMT2ATDP1
SCHEMBL28299085 0.85 HDAC8 (0.36) BACE1MAPTKDM4EKMT2ATDP1
SCHEMBL17133924 0.80 ESR2 (0.34) KMOCYP11B2ACMSD
SCHEMBL21332407 0.78 BACE1 (0.44) BACE1MAPTKDM4EGFERKMT2A
SCHEMBL10492633 0.76 BACE1 (0.43) BACE1MAPTKDM4EGFERKMT2A
SCHEMBL16950570 0.75 POLB (0.35)
SCHEMBL28044121 0.73 HDAC4 (0.38) KMOACMSD
SCHEMBL5349384 0.72 CYP11B2 (0.38) BACE1MAPTKDM4EKMT2ATDP1
SCHEMBL778084 0.69 CYP11B2 (0.46) BACE1MAPTKDM4EKMT2ATDP1

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-2086538-B1 COMBINATION THERAPIES FOR TREATING ALZHEIMER'S DISEASE USING DIMEBON AND DONEPEZIL MEDIVATION NEUROLOGY INC (US) 2012-03-14 EP disclosed
EP-2420235-A1 Methods and combination therapies for treating alzheimer's disease Medivation Neurology, Inc. (US) 2012-02-22 EP disclosed
US-20100152108-A1 METHODS AND COMBINATION THERAPIES FOR TREATING ALZHEIMER'S DISEASE MEDIVATION NEUROLOGY, INC. (US) 2010-06-17 US disclosed
US-20100130537-A1 CINNAMIDE COMPOUNDS FOR DEMENTIA EISAI R&D MANAGEMENT CO., LTD (JP) 2010-05-27 US disclosed
US-20100099714-A1 AMPA and NMDA Receptor Antagonists for Neurodegenerative Diseases EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-04-22 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 (3 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-20100130537-A1 CINNAMIDE COMPOUNDS FOR DEMENTIA GRIN1, GRIN2A, GRIN3A BACE1 9/4885MAPT 87/4885KDM4E 579/4885
US-20100099714-A1 AMPA and NMDA Receptor Antagonists for Neurodegenerative Diseases GRIN1, GRIN2A, GRIN3A BACE1 45/4885MAPT 78/4885KDM4E 2121/4885
US-20100152108-A1 METHODS AND COMBINATION THERAPIES FOR TREATING ALZHEIMER'S DISEASE PSEN2, APP, PSEN1 BACE1 5/4885MAPT 4/4885KDM4E 798/4885

“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.