SCHEMBL929408

SCHEMBL929408

C1=C2CN(c3ccc(-c4c[nH]c5ccccc45)nn3)CC2CN1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.54
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 0.45
HTT P42858 3/20 0.45
CHRNA7 P36544 2/20 0.37
MAPT P10636 6/20 0.35
KDM4E B2RXH2 5/20 0.35
RAB9A P51151 4/20 0.35
SMN1; SMN2 Q16637 4/20 0.35
ALDH1A1 P00352 4/20 0.35
NPC1 O15118 3/20 0.35
POLB P06746 1/20 0.35
HPGD P15428 1/20 0.35
HSD17B10 Q99714 2/20 0.34
THRB P10828 2/20 0.34
ALOX15 P16050 1/20 0.34
PPARG P37231 1/20 0.34
NCOA2 Q15596 1/20 0.34
PDGFRB P09619 2/20 0.34
CLK1 P49759 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
SCHEMBL929226 0.83 CNR2 (0.56) CNR2MEN1KMT2AHTTCHRNA7
SCHEMBL929407 0.78 CHRNA7 (0.61) CNR2MEN1KMT2AHTTCHRNA7
SCHEMBL927429 0.75 CNR2 (0.57) CNR2MEN1KMT2AHTTCHRNA7
SCHEMBL927848 0.75 CNR2 (0.57) CNR2MEN1KMT2AHTTCHRNA7
SCHEMBL927431 0.75 CNR2 (0.57) CNR2MEN1KMT2AHTTCHRNA7
SCHEMBL929223 0.74 CNR2 (0.62) CNR2MEN1KMT2AHTTCHRNA7
SCHEMBL6323965 0.74 CHRNA7 (0.42) CNR2CHRNA7RAB9ANPC1
Bromide SCHEMBL928337 0.73 CHRNA7 (0.41) CNR2CHRNA7RAB9ANPC1
SCHEMBL928387 0.73 CHRNA7 (0.42) MEN1KMT2ACHRNA7RAB9ANPC1
SCHEMBL930768 0.72 CHRNA7 (0.59) CHRNA7NPC1

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 8 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 claimed
US-7399765-B2 Substituted diazabicycloalkane derivatives ABBOTT LABORATORIES (US) 2008-07-15 US claimed
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 claimed
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 CNR2 46/4885MEN1 3019/4885KMT2A 1656/4885
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 CNR2 133/4885MEN1 4343/4885KMT2A 1571/4885

“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.