SCHEMBL5069748

SCHEMBL5069748

[O]CCN1CCC(C(F)(F)F)CC1

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 9/20 0.42
KCNH2 Q12809 8/20 0.42
DRD2 P14416 8/20 0.42
DRD4 P21917 2/20 0.36
HRH3 Q9Y5N1 2/20 0.32
TERT O14746 1/20 0.32
HSD11B1 P28845 1/20 0.31
SLC6A4 P31645 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
SCHEMBL25436244 0.78 DRD2 (0.44) DRD3KCNH2DRD2SLC6A4
SCHEMBL4182146 0.78 DRD3 (0.37) DRD3KCNH2DRD2DRD4HRH3
SCHEMBL1473088 0.78 KMT2A (0.46) DRD3KCNH2DRD2DRD4HSD11B1
SCHEMBL597482 0.78 ALOX15 (0.50) DRD3KCNH2DRD2DRD4
Hydrochloric Acid SCHEMBL4357773 0.77 DRD3 (0.39) DRD3KCNH2DRD2DRD4HRH3
SCHEMBL5069750 0.77 HRH3 (0.34) HRH3
SCHEMBL2209216 0.75 KEAP1 (0.45) DRD3KCNH2DRD2HRH3SLC6A4
Hydrochloric Acid SCHEMBL4362956 0.74 DRD3 (0.37) DRD3KCNH2DRD2DRD4HRH3
SCHEMBL16118867 0.74 TERT (0.40) DRD3KCNH2DRD2HRH3TERT
SCHEMBL13896727 0.74 ARG1 (0.44) DRD3KCNH2DRD2DRD4HRH3

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 DRD3 3339/4885KCNH2 3448/4885DRD2 3508/4885

“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.