SCHEMBL5069783

SCHEMBL5069783

[O]CCN1CC2CC1CO2

nearest known ligand 0.32

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.32
ESR2 Q92731 1/20 0.32
WNT1 P04628 2/20 0.32
GSK3B P49841 2/20 0.32
DYRK1A Q13627 2/20 0.32
KCNH2 Q12809 1/20 0.31
MCHR1 Q99705 1/20 0.31
KIF11 P52732 2/20 0.31
PDE10A Q9Y233 1/20 0.30

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
SCHEMBL16107186 0.89 KIF11 (0.34) ESR1ESR2WNT1GSK3BDYRK1A
SCHEMBL23158261 0.81 KIF11 (0.33) ESR1ESR2KIF11
SCHEMBL12717919 0.80 ESR1 (0.34) ESR1ESR2WNT1GSK3BDYRK1A
SCHEMBL15366079 0.80 ESR1 (0.32) ESR1ESR2KCNH2MCHR1PDE10A
SCHEMBL12716623 0.80 ESR1 (0.34) ESR1ESR2WNT1GSK3BDYRK1A
SCHEMBL23775665 0.80 KIF11 (0.32) ESR1ESR2WNT1GSK3BDYRK1A
SCHEMBL8369391 0.80 ESR1 (0.34) ESR1ESR2WNT1GSK3BDYRK1A
SCHEMBL5069790 0.80 GAA (0.36) ESR1ESR2WNT1GSK3BDYRK1A
Hydrochloric Acid SCHEMBL25367847 0.78 ESR1 (0.32) ESR1ESR2KCNH2MCHR1PDE10A
Hydrochloric Acid SCHEMBL25366904 0.78 GAA (0.35) ESR1ESR2WNT1GSK3BDYRK1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7365196-B2 Sulphonamido-substituted bridged bicycloalkyl derivatives MERCK SHARP & DOHME LTD. (GB) 2008-04-29 US claimed
EP-1268412-B1 SULPHONAMIDO-SUBSTITUTED BRIDGED BICYCLOALKYL DERIVATIVES MERCK SHARP & DOHME (GB) 2006-11-22 EP claimed
US-20040029862-A1 Sulphonamido-substituted bridged bicycloalkyl derivatives MERCK CANADA INC. (CA) 2004-02-12 US claimed
US-7365196-B2 Sulphonamido-substituted bridged bicycloalkyl derivatives MERCK SHARP & DOHME LTD. (GB) 2008-04-29 US disclosed
EP-1268412-B1 SULPHONAMIDO-SUBSTITUTED BRIDGED BICYCLOALKYL DERIVATIVES MERCK SHARP & DOHME (GB) 2006-11-22 EP disclosed
US-20040029862-A1 Sulphonamido-substituted bridged bicycloalkyl derivatives MERCK CANADA INC. (CA) 2004-02-12 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-20040029862-A1 Sulphonamido-substituted bridged bicycloalkyl derivatives BACE1, BACE2, PSEN2 ESR1 2688/4885ESR2 694/4885WNT1 3036/4885

“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.