SCHEMBL928428

SCHEMBL928428

CC(C)(C)OC(=O)N1CC2=CN(c3cc(-c4ccccc4)cs3)CC2C1

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 12/20 0.42
TAOK3 Q9H2K8 1/20 0.38
HPGDS O60760 2/20 0.38
ACKR3 P25106 1/20 0.37
GPR119 Q8TDV5 1/20 0.36
BACE1 P56817 1/20 0.36

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
SCHEMBL930420 0.81 USP30 (0.43) USP30TAOK3HPGDSACKR3
SCHEMBL929200 0.80 USP30 (0.55) USP30HPGDSGPR119
SCHEMBL929141 0.78 SCD5 (0.48) USP30HPGDS
SCHEMBL6324539 0.78 USP30 (0.46) USP30TAOK3HPGDSGPR119
SCHEMBL927931 0.77 USP30 (0.58) USP30HPGDSACKR3
SCHEMBL928369 0.77 USP30 (0.41) USP30TAOK3HPGDSACKR3GPR119
SCHEMBL6324664 0.77 HPGDS (0.53) USP30TAOK3HPGDSGPR119
SCHEMBL928426 0.77 USP30 (0.46) USP30ACKR3GPR119
SCHEMBL928415 0.77 NPC1 (0.46) USP30HPGDSGPR119
SCHEMBL929723 0.77 ROCK2 (0.43) USP30HPGDSGPR119

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 4375/4885TAOK3 1458/4885HPGDS 4218/4885
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 4393/4885TAOK3 1739/4885HPGDS 4152/4885

“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.