SCHEMBL929199

SCHEMBL929199

CC(C)(C)OC(=O)N1CC2CN(c3nc(-c4ccccc4)cs3)CC2C1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 3/20 0.60
RAB9A P51151 4/20 0.51
NPC1 O15118 2/20 0.51
LMNA P02545 2/20 0.48
MAPK1 P28482 2/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
UCHL1 P09936 1/20 0.48
ALDH1A1 P00352 3/20 0.47
HSD17B10 Q99714 2/20 0.47
SMN1; SMN2 Q16637 3/20 0.46
AR P10275 3/20 0.46
TP53 P04637 1/20 0.46
ALOX15 P16050 1/20 0.46
MAPT P10636 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45

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
SCHEMBL3765754 0.85 RAB9A (0.66) USP30RAB9ANPC1LMNAMAPK1
SCHEMBL928414 0.81 NPC1 (0.54) USP30RAB9ANPC1PDE10A
SCHEMBL929922 0.81 PDE10A (0.43) USP30PDE10A
SCHEMBL928368 0.79 USP30 (0.52) USP30PDE10A
SCHEMBL14026889 0.79 USP30 (0.58) USP30RAB9ANPC1LMNAMAPK1
SCHEMBL927930 0.78 USP30 (0.72) USP30PDE10A
SCHEMBL15663026 0.78 CHRNA7 (0.60) USP30PDE10A
SCHEMBL6330678 0.78 CHRNA7 (0.60) USP30PDE10A
SCHEMBL928426 0.78 USP30 (0.46) USP30PDE10A
SCHEMBL929200 0.78 USP30 (0.55) USP30RAB9ANPC1UCHL1ALDH1A1

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 4375/4885RAB9A 1215/4885NPC1 902/4885
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 4393/4885RAB9A 1951/4885NPC1 303/4885

“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.