SCHEMBL293603

SCHEMBL293603

CCCCCCC1C[CH]CC(N)C1

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.35
SPHK1 Q9NYA1 8/20 0.34
SPHK2 Q9NRA0 3/20 0.34
EPHX1 P07099 1/20 0.33
GNAI3 P08754 1/20 0.33
GNAO1 P09471 1/20 0.33
GNAI1 P63096 1/20 0.33
ALOX5 P09917 1/20 0.33
CYP1A2 P05177 2/20 0.32
NOS1 P29475 1/20 0.31
NOS2 P35228 1/20 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
SCHEMBL294406 0.98 CYP1A2 (0.33) ALDH1A1SPHK1SPHK2EPHX1GNAI3
SCHEMBL293211 0.92 CYP1A2 (0.39) CYP1A2
SCHEMBL19406521 0.86 ALDH1A1 (0.41) ALDH1A1SPHK1SPHK2EPHX1ALOX5
SCHEMBL294623 0.84 NOS3 (0.31) NOS1NOS2
SCHEMBL20873648 0.84 ALDH1A1 (0.40) ALDH1A1SPHK1SPHK2EPHX1ALOX5
SCHEMBL3921171 0.82 ALDH1A1 (0.44) ALDH1A1SPHK1SPHK2EPHX1ALOX5
SCHEMBL24053264 0.78 CYP1A2 (0.41) ALDH1A1SPHK1SPHK2EPHX1GNAI3
SCHEMBL8749582 0.73
SCHEMBL25269130 0.72 EPHX1 (0.42) ALDH1A1SPHK1SPHK2EPHX1CYP1A2
SCHEMBL6718471 0.72 EPHX1 (0.42) ALDH1A1SPHK1SPHK2EPHX1CYP1A2

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 11 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
EP-2148673-A1 CINNAMIDE COMPOUNDS FOR DEMENTIA Eisai R&D Management Co., Ltd. (JP) 2010-02-03 EP disclosed
EP-2131828-A2 AMPA AND NMDA RECEPTOR ANTAGONISTS FOR NEURODEGENERATIVE DISEASES Eisai R&D Management Co., Ltd. (JP) 2009-12-16 EP disclosed
EP-2086538-A2 COMBINATION THERAPIES FOR TREATING ALZHEIMER'S DISEASE USING I.A. DIMEBON AND DOLEPEZIL Medivation Neurology, Inc. (US) 2009-08-12 EP disclosed
WO-2008139984-A1 CINNAMIDE COMPOUNDS FOR DEMENTIA EISAI R & D MANAGEMENT CO., LTD. (JP) 2008-11-20 WO disclosed
WO-2008111590-A2 AMPA AND NMDA RECEPTOR ANTAGONISTS FOR NEURODEGENERATIVE DISEASES EISAI R & D MANAGEMENT CO., LTD. (JP) 2008-09-18 WO disclosed
WO-2008051599-A2 COMBINATION THERAPIES FOR TREATING ALZHEIMER'S DISEASE USING I. A. DIMEBON AND DOLEPEZIL MEDIVATION NEUROLOGY, INC. (US) 2008-05-02 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 (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 ALDH1A1 1878/4885SPHK1 2657/4885SPHK2 2918/4885
US-20100099714-A1 AMPA and NMDA Receptor Antagonists for Neurodegenerative Diseases GRIN1, GRIN2A, GRIN3A ALDH1A1 3296/4885SPHK1 1398/4885SPHK2 1478/4885
US-20100152108-A1 METHODS AND COMBINATION THERAPIES FOR TREATING ALZHEIMER'S DISEASE PSEN2, APP, PSEN1 ALDH1A1 1605/4885SPHK1 101/4885SPHK2 107/4885

“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.