SCHEMBL5346288

SCHEMBL5346288

Cn1cc(N2CCN3CCC2CC3)nc1-c1cccs1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 2/20 0.38
CHRNA7 P36544 5/20 0.37
HTR3A P46098 3/20 0.37
CHRM4 P08173 1/20 0.37
CHRM5 P08912 1/20 0.37
CHRM1 P11229 1/20 0.37
CHRM3 P20309 1/20 0.37
CHRNB4 P30926 1/20 0.37
CHRNA3 P32297 1/20 0.37
KCNH2 Q12809 1/20 0.37
NPC1 O15118 3/20 0.36
RAB9A P51151 3/20 0.36
KDM4E B2RXH2 3/20 0.36
ALDH1A1 P00352 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
GAA P10253 2/20 0.35
MAPT P10636 1/20 0.35
KLF5 Q13887 1/20 0.35
MEN1 O00255 1/20 0.34
USP2 O75604 1/20 0.34

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
SCHEMBL5347643 0.78 PDE10A (0.41) PDE10ANPC1RAB9AKDM4EALDH1A1
SCHEMBL5346283 0.76 KDM4E (0.39) CHRNA7HTR3ACHRM4CHRM5CHRM1
SCHEMBL5358143 0.73 CHRNA7 (0.39) CHRNA7HTR3ACHRM4CHRM5CHRM1
SCHEMBL5354327 0.73 NPC1 (0.57) CHRNA7HTR3ANPC1RAB9AKDM4E
SCHEMBL5351590 0.72 RAB9A (0.43) CHRNA7HTR3ANPC1RAB9AALDH1A1
SCHEMBL5366414 0.71 CHRM4 (0.35) CHRNA7HTR3ACHRM4CHRM5CHRM1
SCHEMBL5347636 0.71 FYN (0.38) CHRNA7HTR3ACHRNB4CHRNA3ALDH1A1
SCHEMBL2900828 0.69 CHRNA7 (0.37) CHRNA7HTR3ACHRM4CHRM5CHRM1
SCHEMBL6192934 0.69 NPC1 (0.57) CHRNA7HTR3ANPC1RAB9AKDM4E
SCHEMBL5353379 0.69 KDM4E (0.43) CHRNA7HTR3AKCNH2NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040127491-A1 Novel diazabicyclic biaryl derivatives ANIONA APS (DK) 2004-07-01 US 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 PDE10A 299/4885CHRNA7 5/4885HTR3A 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.