SCHEMBL292745

SCHEMBL292745

CCCCCc1c[c]cc(N)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 4/20 0.42
CYP3A4 P08684 2/20 0.42
HTR2A P28223 1/20 0.41
CA2 P00918 2/20 0.41
GPR84 Q9NQS5 2/20 0.41
CA1 P00915 1/20 0.41
CA9 Q16790 1/20 0.41
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 2/20 0.39
HSD17B10 Q99714 2/20 0.39
MEN1 O00255 1/20 0.39
USP2 O75604 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
RAB9A P51151 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
SKP2 Q13309 1/20 0.38
ESR1 P03372 2/20 0.37

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
SCHEMBL292371 0.98 PTGS2 (0.44) PTGS2CYP3A4HTR2ACA2GPR84
SCHEMBL293925 0.94 SKP2 (0.43) PTGS2CYP3A4HTR2ACA2GPR84
SCHEMBL292013 0.86 NPC1 (0.36) CA2GPR84MAPTRAB9A
SCHEMBL170953 0.86 PTGS2 (0.50) PTGS2CYP3A4HTR2ACA2GPR84
SCHEMBL1186069 0.84 PTGS2 (0.52) PTGS2CYP3A4HTR2AGPR84KDM4E
SCHEMBL1187331 0.84 PTGS2 (0.52) PTGS2CYP3A4HTR2AGPR84KDM4E
SCHEMBL1186650 0.84 PTGS2 (0.52) PTGS2CYP3A4HTR2AGPR84KDM4E
SCHEMBL1186516 0.84 PTGS2 (0.52) PTGS2CYP3A4HTR2AGPR84KDM4E
SCHEMBL829394 0.84 PTGS2 (0.52) PTGS2CYP3A4HTR2AGPR84KDM4E
SCHEMBL1187072 0.84 PTGS2 (0.52) PTGS2CYP3A4HTR2AGPR84KDM4E

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 PTGS2 2497/4885CYP3A4 2379/4885HTR2A 1220/4885
US-20100099714-A1 AMPA and NMDA Receptor Antagonists for Neurodegenerative Diseases GRIN1, GRIN2A, GRIN3A PTGS2 676/4885CYP3A4 4335/4885HTR2A 106/4885
US-20100152108-A1 METHODS AND COMBINATION THERAPIES FOR TREATING ALZHEIMER'S DISEASE PSEN2, APP, PSEN1 PTGS2 512/4885CYP3A4 2831/4885HTR2A 185/4885

“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.