SCHEMBL930035

SCHEMBL930035

CC(C)(C)OC(=O)N1C[C@@H]2CCN(C(=O)C(F)(F)F)C[C@@H]21

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 1/20 0.43
SPR P35270 2/20 0.41
GPR119 Q8TDV5 9/20 0.40
HSD17B10 Q99714 1/20 0.40
HPGD P15428 1/20 0.39
LIPE Q05469 1/20 0.39
PREP P48147 1/20 0.39

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
SCHEMBL6325451 1.00 USP30 (0.43) USP30SPRGPR119HSD17B10HPGD
SCHEMBL650695 0.89 USP30 (0.47) USP30SPRGPR119HSD17B10LIPE
SCHEMBL652473 0.89 USP30 (0.47) USP30SPRGPR119HSD17B10LIPE
SCHEMBL18702090 0.89 GPR119 (0.42) USP30SPRGPR119HSD17B10HPGD
SCHEMBL3578711 0.85 GPR119 (0.46) USP30SPRGPR119HSD17B10HPGD
SCHEMBL3578707 0.85 GPR119 (0.46) USP30SPRGPR119HSD17B10HPGD
SCHEMBL3578710 0.85 GPR119 (0.46) USP30SPRGPR119HSD17B10HPGD
SCHEMBL18711394 0.85 GPR119 (0.43) USP30SPRGPR119HSD17B10HPGD
SCHEMBL18701842 0.82 GPR119 (0.46) USP30SPRGPR119HPGD
SCHEMBL1586237 0.80 GPR119 (0.50) USP30SPRGPR119HSD17B10HPGD

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-2316836-A1 Substituted diazabicycloalkane derivatives as ligands at alpha 7 nicotinic acetylcholine receptors Abbott Laboratories (US) 2011-05-04 EP disclosed
US-7872010-B2 Substituted diazabicycloalkane derivatives having affinity for nicotinic acetylcholine receptors ABBOTT LABORATORIES (US) 2011-01-18 US disclosed
US-20080275048-A1 Substituted Diazabicycloalkane Derivates ABBOTT LABORATORIES (US) 2008-11-06 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 (2 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-20080275048-A1 Substituted Diazabicycloalkane Derivates CHRNA7, CHRNA1, CHRNA2 USP30 4375/4885SPR 4302/4885GPR119 84/4885
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 4393/4885SPR 3950/4885GPR119 401/4885

“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.