SCHEMBL5356264

SCHEMBL5356264

c1ncc(-c2ccc(N3CCN4CCC3CC4)nn2)s1

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SCD O00767 5/20 0.37
CHRNA7 P36544 3/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
KLF5 Q13887 1/20 0.36
HTR3A P46098 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
KCNH2 Q12809 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
SCHEMBL5356291 0.78 CHRNA7 (0.36) SCDCHRNA7HTR3AKCNH2
SCHEMBL5353576 0.74 SCD (0.43) SCDCHRNA7HTR3AKMT2A
SCHEMBL5351784 0.74 IL4I1 (0.44) SCDCHRNA7NPC1RAB9AKLF5
SCHEMBL5352859 0.74 CHRNA7 (0.36) SCDCHRNA7HTR3AKCNH2
SCHEMBL7512345 0.74 CHRNA7 (0.52) SCDCHRNA7HTR3A
SCHEMBL2637923 0.74 HRH3 (0.36) CHRNA7HTR3AKCNH2
SCHEMBL5351339 0.73 SCD (0.38) SCDCHRNA7HTR3AKCNH2
SCHEMBL5347172 0.73 CHRNA7 (0.36) SCDCHRNA7HTR3AKCNH2
SCHEMBL2638898 0.72 CHRNA7 (0.60) CHRNA7HTR3AKCNH2
SCHEMBL3202084 0.70 CYP1A2 (0.46) KMT2A

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 SCD 968/4885CHRNA7 5/4885NPC1 1795/4885

“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.