SCHEMBL927997

SCHEMBL927997

CC(C)(C)OC(=O)N1CC2=CN(c3ccc(-c4cccc(O)c4)nn3)CC2C1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 1/20 0.39
EGFR P00533 1/20 0.39
SRC P12931 1/20 0.39
ABL2 P42684 1/20 0.39
USP30 Q70CQ3 6/20 0.37
GPR119 Q8TDV5 2/20 0.36
ESR2 Q92731 1/20 0.36
SMARCA2 P51531 2/20 0.35
SMARCA4 P51532 2/20 0.35
PBRM1 Q86U86 2/20 0.35
HPGDS O60760 2/20 0.34
FLT3 P36888 1/20 0.34
TYRO3 Q06418 1/20 0.34
MERTK Q12866 1/20 0.34
GAS6 Q14393 1/20 0.34
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
PAX8 Q06710 2/20 0.33
KDM1A O60341 1/20 0.33
MEN1 O00255 1/20 0.33

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
SCHEMBL6326098 0.91 MEN1 (0.40) USP30GPR119NPC1RAB9AMEN1
SCHEMBL6330682 0.90 GPR119 (0.41) USP30GPR119HPGDS
SCHEMBL928151 0.89 POLB (0.40) ABL1EGFRSRCABL2USP30
SCHEMBL929815 0.89 GPR119 (0.42) SRCUSP30GPR119ESR2FLT3
SCHEMBL927552 0.84 GPR119 (0.42) USP30GPR119SMARCA2SMARCA4PBRM1
SCHEMBL6323822 0.83 HTT (0.46) SRCGPR119NPC1RAB9AMEN1
SCHEMBL929389 0.82 GPR119 (0.34) USP30GPR119FLT3TYRO3MERTK
SCHEMBL928412 0.80 KMT2A (0.39) GPR119ESR2MEN1KMT2A
SCHEMBL927996 0.79 CHRNA7 (0.46) ABL1EGFRSRCABL2USP30
SCHEMBL6324539 0.76 USP30 (0.46) USP30GPR119HPGDS

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 6 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
US-20050065178-A1 Substituted diazabicycloakane derivatives ABBOTT LABORATORIES 2005-03-24 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 (3 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-20050065178-A1 Substituted diazabicycloakane derivatives CHRNA7, CHRNA1, CHRNA5 ABL1 4161/4885EGFR 2048/4885SRC 2890/4885
US-20080275048-A1 Substituted Diazabicycloalkane Derivates CHRNA7, CHRNA1, CHRNA2 ABL1 3828/4885EGFR 1984/4885SRC 2491/4885
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 ABL1 4623/4885EGFR 2513/4885SRC 2573/4885

“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.