SCHEMBL929924

SCHEMBL929924

CC(C)(C)OC(=O)N1CC2=CN(c3nc(Br)cs3)CC2C1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 3/20 0.36
SSTR4 P31391 1/20 0.34
KDM4E B2RXH2 1/20 0.32
ADORA2A P29274 2/20 0.32
ADORA2B P29275 2/20 0.32
HPGDS O60760 2/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
TRPV3 Q8NET8 1/20 0.32
EHMT2 Q96KQ7 1/20 0.32
DDB1 Q16531 1/20 0.32
CRBN Q96SW2 1/20 0.32
RORC P51449 2/20 0.31
GPR119 Q8TDV5 1/20 0.31
LMNA P02545 1/20 0.31
NAMPT P43490 1/20 0.31

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
SCHEMBL929200 0.83 USP30 (0.55) USP30HPGDSGPR119
SCHEMBL929102 0.82 USP30 (0.40) USP30KDM4EHPGDSDDB1CRBN
SCHEMBL4905337 0.81 GPR119 (0.41) USP30KDM4EADORA2AADORA2BHPGDS
SCHEMBL929934 0.77 F13A1 (0.36) HPGDSMEN1KMT2ADDB1CRBN
SCHEMBL6321817 0.77 GPR119 (0.38) USP30HPGDSMEN1KMT2AGPR119
SCHEMBL927557 0.77 RORC (0.43) USP30KDM4ERORCGPR119
SCHEMBL16717787 0.76 GPR119 (0.40) USP30KDM4EHPGDSRORCGPR119
SCHEMBL1672076 0.76 SSTR4 (0.40) SSTR4KDM4EMEN1KMT2ADDB1
SCHEMBL929922 0.75 PDE10A (0.43) USP30GPR119
SCHEMBL3580207 0.75 GPR119 (0.50) USP30HPGDSGPR119NAMPT

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 4375/4885SSTR4 2573/4885KDM4E 2436/4885
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 4393/4885SSTR4 3879/4885KDM4E 2814/4885

“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.