SCHEMBL5352859

SCHEMBL5352859

c1ncc(-c2ccc(N3CCN4CCC3CC4)nn2)o1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 4/20 0.36
SCD O00767 1/20 0.35
HTR3A P46098 2/20 0.35
DRD2 P14416 2/20 0.35
DRD4 P21917 2/20 0.35
DRD3 P35462 2/20 0.35
KCNH2 Q12809 2/20 0.34
CHRM4 P08173 1/20 0.33
CHRM5 P08912 1/20 0.33
CHRM1 P11229 1/20 0.33
CHRM3 P20309 1/20 0.33
CHRNB4 P30926 1/20 0.33
CHRNA3 P32297 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
SCHEMBL5351606 0.81 SMARCA2 (0.43) CHRNA7HTR3A
SCHEMBL5351147 0.78 CHRNA7 (0.40) CHRNA7HTR3AKCNH2CHRM4CHRM5
SCHEMBL5356264 0.74 SCD (0.37) CHRNA7SCDHTR3AKCNH2
SCHEMBL5355402 0.74 CHRNA7 (0.39) CHRNA7HTR3AKCNH2CHRM4CHRM5
SCHEMBL5353576 0.74 SCD (0.43) CHRNA7SCDHTR3ACHRM4CHRM5
SCHEMBL7512345 0.74 CHRNA7 (0.52) CHRNA7SCDHTR3ACHRNB4CHRNA3
SCHEMBL5358521 0.73 PBRM1 (0.43) CHRNA7SCDHTR3AKCNH2CHRM4
SCHEMBL2638468 0.73 CHRNA7 (0.57) CHRNA7HTR3AKCNH2CHRM4CHRM5
SCHEMBL3183343 0.70 CHRNA7 (0.40) CHRNA7HTR3AKCNH2CHRM4CHRM5
SCHEMBL3202084 0.70 CYP1A2 (0.46) CHRNB4CHRNA3

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-7223753-B2 Diazabicyclic biaryl derivatives NEUROSEARCH A/S (DK) 2007-05-29 US claimed
EP-1562945-B1 1,4-DIAZABICYCLO(3,2,2)NONANE DERIVATIVES, PREPARATION AND THERAPEUTICAL USE THEREOF NEUROSEARCH AS (DK) 2006-11-15 EP claimed
EP-1562945-A1 1,4-DIAZABICYCLO(3,2,2)NONANE DERIVATIVES, PREPARATION AND THERAPEUTICAL USE THEREOF NEUROSEARCH A/S (DK) 2005-08-17 EP claimed
US-20040127491-A1 Novel diazabicyclic biaryl derivatives ANIONA APS (DK) 2004-07-01 US claimed
WO-2004043960-A1 1,4-DIAZABICYCLO (3,2,2)NONANE DERIVATIVES, PREPARATION AND THERAPEUTICAL USE THEREOF NEUROSEARCH A/S (DK) 2004-05-27 WO claimed
US-7223753-B2 Diazabicyclic biaryl derivatives NEUROSEARCH A/S (DK) 2007-05-29 US disclosed
EP-1562945-B1 1,4-DIAZABICYCLO(3,2,2)NONANE DERIVATIVES, PREPARATION AND THERAPEUTICAL USE THEREOF NEUROSEARCH AS (DK) 2006-11-15 EP disclosed
EP-1562945-A1 1,4-DIAZABICYCLO(3,2,2)NONANE DERIVATIVES, PREPARATION AND THERAPEUTICAL USE THEREOF NEUROSEARCH A/S (DK) 2005-08-17 EP disclosed
US-20040127491-A1 Novel diazabicyclic biaryl derivatives ANIONA APS (DK) 2004-07-01 US disclosed
WO-2004043960-A1 1,4-DIAZABICYCLO (3,2,2)NONANE DERIVATIVES, PREPARATION AND THERAPEUTICAL USE THEREOF NEUROSEARCH A/S (DK) 2004-05-27 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-20040127491-A1 Novel diazabicyclic biaryl derivatives CHRNA6, CHRNA3, CHRNA2 CHRNA7 5/4885SCD 968/4885HTR3A 79/4885

“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.