SCHEMBL927552

SCHEMBL927552

CC(C)(C)OC(=O)N1CC2=CN(c3ccc(-c4ccc(N)cc4)nn3)CC2C1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 8/20 0.42
NR1H2 P55055 1/20 0.37
HTT P42858 2/20 0.35
KDM4E B2RXH2 2/20 0.35
MEN1 O00255 2/20 0.35
ALDH1A1 P00352 2/20 0.35
HPGD P15428 2/20 0.35
TSHR P16473 2/20 0.35
KMT2A Q03164 2/20 0.35
HSD17B10 Q99714 2/20 0.35
CRHBP P24387 1/20 0.35
CRHR2 Q13324 1/20 0.35
SMARCA2 P51531 2/20 0.35
SMARCA4 P51532 2/20 0.35
PBRM1 Q86U86 2/20 0.35
USP2 O75604 1/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
MAPK1 P28482 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34

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
SCHEMBL929815 0.91 GPR119 (0.42) GPR119HTTKDM4EMEN1ALDH1A1
SCHEMBL6330682 0.90 GPR119 (0.41) GPR119USP30
SCHEMBL6323822 0.90 HTT (0.46) GPR119HTTKDM4EMEN1ALDH1A1
SCHEMBL6326098 0.84 MEN1 (0.40) GPR119MEN1KMT2AMAPTUSP30
SCHEMBL927997 0.84 ABL1 (0.39) GPR119MEN1KMT2ASMARCA2SMARCA4
SCHEMBL928151 0.83 POLB (0.40) HTTKDM4EMEN1ALDH1A1HPGD
SCHEMBL928412 0.82 KMT2A (0.39) GPR119HTTKDM4EMEN1HPGD
SCHEMBL28642090 0.81 NR1H2 (0.44) GPR119NR1H2HTTKDM4EMEN1
SCHEMBL927551 0.78 CHRNA7 (0.46) GPR119SMARCA2SMARCA4PBRM1
SCHEMBL6324539 0.77 USP30 (0.46) GPR119TAOK3USP30

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 GPR119 84/4885NR1H2 158/4885HTT 1969/4885
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 GPR119 401/4885NR1H2 134/4885HTT 1114/4885

“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.