SCHEMBL652473

SCHEMBL652473

CC(C)(C)OC(=O)N1CC[C@@H]2CN(C(=O)C(F)(F)F)C[C@@H]21

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 1/20 0.47
LIPE Q05469 2/20 0.41
SPR P35270 2/20 0.41
NR1H2 P55055 2/20 0.40
GPR119 Q8TDV5 3/20 0.38
HSD17B10 Q99714 1/20 0.37
NR1H3 Q13133 1/20 0.37
PIK3CA P42336 1/20 0.37
MTOR P42345 1/20 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
SCHEMBL650695 1.00 USP30 (0.47) USP30LIPESPRNR1H2GPR119
SCHEMBL930035 0.89 USP30 (0.43) USP30LIPESPRGPR119HSD17B10
SCHEMBL6325451 0.89 USP30 (0.43) USP30LIPESPRGPR119HSD17B10
SCHEMBL18701742 0.89 USP30 (0.47) USP30LIPESPRNR1H2GPR119
SCHEMBL18711404 0.85 USP30 (0.47) USP30SPRNR1H2GPR119HSD17B10
SCHEMBL18701830 0.81 USP30 (0.52) USP30LIPESPRNR1H2GPR119
SCHEMBL14196289 0.81 USP30 (0.57) USP30LIPESPRNR1H2GPR119
SCHEMBL3580062 0.80 USP30 (0.33) USP30
SCHEMBL3572947 0.80 USP30 (0.33) USP30
SCHEMBL18701890 0.80 SPR (0.42) USP30SPRNR1H2GPR119HSD17B10

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-8119635-B2 Diazabicyclic central nervous system active agents ABBOTT LABORATORIES (US) 2012-02-21 US disclosed
EP-2298775-A1 Diazabicyclic central nervous system active agents Abbott Laboratories (US) 2011-03-23 EP disclosed
EP-2295437-A1 Diazabicyclic central nervous system active agents Abbott Laboratories (US) 2011-03-16 EP disclosed
US-7872010-B2 Substituted diazabicycloalkane derivatives having affinity for nicotinic acetylcholine receptors ABBOTT LABORATORIES (US) 2011-01-18 US disclosed
US-7399765-B2 Substituted diazabicycloalkane derivatives ABBOTT LABORATORIES (US) 2008-07-15 US disclosed
US-20050101602-A1 For example, 3-(6-phenyl-pyridazin-3-yl)-3,8-diaza-bicyclo[3.2.1]octane; for treatment or prevention of conditions and disorders related to nAChR activity, and more particularly alpha 7 nAChR activity, such as attention deficit disorder, attention deficit hyperactivity disorder, Alzheimer's disease ABBVIE INC. 2005-05-12 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-20050101602-A1 For example, 3-(6-phenyl-pyridazin-3-yl)-3,8-diaza-bicyclo[3.2.1]octane; for treatment or prevention of conditions and disorders related to nAChR activity, and more particularly alpha 7 nAChR activity, such as attention deficit disorder, attention deficit hyperactivity disorder, Alzheimer's disease CHRNA7, CHRNA2, CHRNA6 USP30 4393/4885LIPE 3369/4885SPR 3950/4885

“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.