SCHEMBL1449643

SCHEMBL1449643

CN1C2CCCCC1CN(c1ccc(C#Cc3ccc4[nH]ccc4c3)nn1)C2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 7/20 0.46
KCNH2 Q12809 5/20 0.40
GFER P55789 1/20 0.37
GRM5 P41594 2/20 0.36
GRIN1 Q05586 1/20 0.35
IMPDH2 P12268 1/20 0.34
IMPDH1 P20839 1/20 0.34
OGA O60502 1/20 0.34
CSNK1D P48730 1/20 0.33
MAPK11 Q15759 1/20 0.33
MAPK14 Q16539 1/20 0.33
APP P05067 1/20 0.33
MTOR P42345 2/20 0.32
PIK3CD O00329 1/20 0.32
ABL1 P00519 1/20 0.32
EGFR P00533 1/20 0.32
HCK P08631 1/20 0.32
SRC P12931 1/20 0.32
KDR P35968 1/20 0.32
PIK3CA P42336 1/20 0.32

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
SCHEMBL3548034 0.96 CHRNA7 (0.47) CHRNA7KCNH2GFERGRM5GRIN1
SCHEMBL1449960 0.80 CHRNA7 (0.71) CHRNA7KCNH2CSNK1DMAPK11MAPK14
SCHEMBL3549772 0.80 GFER (0.41) CHRNA7KCNH2GFERGRIN1IMPDH2
SCHEMBL1450676 0.79 GRM5 (0.44) GRM5
SCHEMBL1449611 0.78 GRM5 (0.55) CHRNA7GRM5
SCHEMBL1397905 0.78 CHRNA7 (0.71) CHRNA7KCNH2CSNK1DMAPK11MAPK14
SCHEMBL2944661 0.78 CHRNA7 (0.67) CHRNA7KCNH2
SCHEMBL5441918 0.78 CHRNA7 (0.40) CHRNA7KCNH2GFERGRM5GRIN1
SCHEMBL1450755 0.77 GRM5 (0.45) GRM5
SCHEMBL1449572 0.77 GRM5 (0.41) GRM5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7910578-B2 8,10-diaza-bicyclo[4.3.1]decane derivatives and their medical use NEUROSEARCH A/S (DK) 2011-03-22 US disclosed
US-20090099153-A1 NOVEL 8,10-DIAZA-BICYCLO[4.3.1]DECANE DERIVATIVES AND THEIR MEDICAL USE ANIONA APS (DK) 2009-04-16 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 (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-20090099153-A1 NOVEL 8,10-DIAZA-BICYCLO[4.3.1]DECANE DERIVATIVES AND THEIR MEDICAL USE CHRNA10, CHRNA7, CHRNA3 CHRNA7 2/4885KCNH2 1199/4885GFER 2946/4885

“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.