SCHEMBL5041382

SCHEMBL5041382

O=C(O)N1C[C@H]2C[C@@H]1CN2Cc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 5/20 0.47
CNR2 P34972 1/20 0.45
LTA4H P09960 3/20 0.45
MAPT P10636 1/20 0.44
SPR P35270 1/20 0.44
HDAC1 Q13547 1/20 0.43
CHRM2 P08172 1/20 0.43
CHRM4 P08173 1/20 0.43
CHRM5 P08912 1/20 0.43
CHRM1 P11229 1/20 0.43
CHRM3 P20309 1/20 0.43

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
SCHEMBL5775155 1.00 SIGMAR1 (0.47) SIGMAR1CNR2LTA4HMAPTSPR
SCHEMBL1009164 0.88 LTA4H (0.44) SIGMAR1CNR2LTA4H
SCHEMBL18711752 0.88 LTA4H (0.53) SIGMAR1CNR2LTA4HMAPTSPR
SCHEMBL12356590 0.88 LTA4H (0.53) SIGMAR1CNR2LTA4HMAPTSPR
SCHEMBL21929952 0.88 FAAH (0.42) SIGMAR1CNR2HDAC1CHRM3
SCHEMBL19281766 0.88 FAAH (0.42) SIGMAR1CNR2HDAC1CHRM3
SCHEMBL29937379 0.88 SIGMAR1 (0.50) SIGMAR1
SCHEMBL3056649 0.87 LTA4H (0.43) CNR2LTA4HSPR
SCHEMBL11778646 0.85 USP2 (0.47) SIGMAR1CNR2LTA4HMAPTSPR
SCHEMBL5591401 0.84 GAA (0.45) LTA4HHDAC1

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
US-20080275048-A1 Substituted Diazabicycloalkane Derivates ABBOTT LABORATORIES (US) 2008-11-06 US disclosed
EP-1359152-B1 Diazabicyclic derivatives as nicotinic acetylcholine receptor ligands ABBOTT LAB (US) 2008-05-07 EP disclosed
US-7265115-B2 Diazabicyclic CNS active agents ABBOTT LABORATORIES (US) 2007-09-04 US disclosed
US-20030225268-A1 Diazabicyclic CNS active agents ABBVIE INC. 2003-12-04 US disclosed
EP-1147112-B1 DIAZABICYCLIC DERIVATIVES AS NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS ABBOTT LAB (US) 2003-10-29 EP 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 SIGMAR1 420/4885CNR2 46/4885LTA4H 1680/4885
US-20030225268-A1 Diazabicyclic CNS active agents GABRE, GRIN1, CNTN1 SIGMAR1 549/4885CNR2 283/4885LTA4H 2042/4885

“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.