SCHEMBL4047832

SCHEMBL4047832

CN1C2CCC1CN(C(=O)c1ccc(-c3cccc(C(F)(F)F)c3)o1)C2

nearest known ligand 0.74

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 1/20 0.61
GAA P10253 2/20 0.57
CYP1A2 P05177 1/20 0.55
CYP2C19 P33261 1/20 0.55
SLC9A1 P19634 1/20 0.51
ALDH1A1 P00352 4/20 0.47
KMT2A Q03164 4/20 0.46
KDM4E B2RXH2 3/20 0.46
HPGD P15428 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
MEN1 O00255 3/20 0.44
HSD17B10 Q99714 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
CTSS P25774 1/20 0.42

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
SCHEMBL4048304 0.84 RAB9A (0.43) CHRNA7ALDH1A1KDM4E
SCHEMBL4048359 0.80 NQO2 (0.54) CHRNA7SMN1; SMN2
SCHEMBL31098651 0.78 GAA (0.67) CHRNA7GAACYP1A2CYP2C19SLC9A1
SCHEMBL3778277 0.77 GAA (0.57) CHRNA7GAAALDH1A1KMT2AKDM4E
SCHEMBL3326208 0.77 CHRNA7 (0.72) CHRNA7GAACYP1A2CYP2C19SLC9A1
SCHEMBL4050262 0.76 RAB9A (0.52) ALDH1A1KDM4EHPGDSMN1; SMN2TDP1
Hydrochloric Acid SCHEMBL3525790 0.76 CHRNA7 (0.71) CHRNA7GAACYP1A2CYP2C19SLC9A1
SCHEMBL11806267 0.75 CYP1A2 (0.68) CHRNA7GAACYP1A2CYP2C19SLC9A1
SCHEMBL31098715 0.74 GAA (0.66) CHRNA7GAACYP1A2CYP2C19SLC9A1
SCHEMBL13044117 0.74 CYP1A2 (0.71) CHRNA7GAACYP1A2CYP2C19SLC9A1

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7612074-B2 Diazabicyclic aryl derivatives as cholinergy ligands NEUROSEARCH A/S (DK) 2009-11-03 US claimed
EP-1819709-B1 NOVEL DIAZABICYCLIC ARYL DERIVATIVES AS CHOLINERGY LIGANDS NEUROSEARCH AS (DK) 2009-02-11 EP claimed
US-20070265271-A1 Novel Diazabicyclic Aryl Derivatives as Cholinergy Ligands NEUROSEARCH A/S (DK) 2007-11-15 US claimed
EP-1819709-A1 NOVEL DIAZABICYCLIC ARYL DERIVATIVES AS CHOLINERGY LIGANDS NEUROSEARCH A/S (DK) 2007-08-22 EP claimed
WO-2006058879-A1 NOVEL DIAZABICYCLIC ARYL DERIVATIVES AS CHOLINERGY LIGANDS NEUROSEARCH A/S (DK) 2006-06-08 WO claimed
US-7612074-B2 Diazabicyclic aryl derivatives as cholinergy ligands NEUROSEARCH A/S (DK) 2009-11-03 US disclosed
EP-1819709-B1 NOVEL DIAZABICYCLIC ARYL DERIVATIVES AS CHOLINERGY LIGANDS NEUROSEARCH AS (DK) 2009-02-11 EP disclosed
US-20070265271-A1 Novel Diazabicyclic Aryl Derivatives as Cholinergy Ligands NEUROSEARCH A/S (DK) 2007-11-15 US disclosed
EP-1819709-A1 NOVEL DIAZABICYCLIC ARYL DERIVATIVES AS CHOLINERGY LIGANDS NEUROSEARCH A/S (DK) 2007-08-22 EP disclosed
WO-2006058879-A1 NOVEL DIAZABICYCLIC ARYL DERIVATIVES AS CHOLINERGY LIGANDS NEUROSEARCH A/S (DK) 2006-06-08 WO 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 (1 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-20070265271-A1 Novel Diazabicyclic Aryl Derivatives as Cholinergy Ligands CHRNA6, CHRNA10, CHRNA2 CHRNA7 7/4885GAA 2159/4885CYP1A2 1000/4885

“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.