SCHEMBL5346283

SCHEMBL5346283

Cn1c(N2CCN3CCC2CC3)cnc1-c1cccs1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.39
ALDH1A1 P00352 2/20 0.39
POLB P06746 1/20 0.39
HSD17B10 Q99714 1/20 0.39
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
GAA P10253 2/20 0.35
MAPT P10636 2/20 0.35
CHRNA7 P36544 5/20 0.34
HTR3A P46098 3/20 0.34
CHRM4 P08173 1/20 0.34
CHRM5 P08912 1/20 0.34
CHRM1 P11229 1/20 0.34
CHRM3 P20309 1/20 0.34
CHRNB4 P30926 1/20 0.34
CHRNA3 P32297 1/20 0.34
KCNH2 Q12809 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
APOBEC3G Q9HC16 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
SCHEMBL5366414 0.79 CHRM4 (0.35) KDM4EALDH1A1NPC1RAB9AMAPT
SCHEMBL5347636 0.78 FYN (0.38) ALDH1A1MAPTCHRNA7HTR3ACHRNB4
SCHEMBL5346288 0.76 PDE10A (0.38) KDM4EALDH1A1HSD17B10NPC1RAB9A
SCHEMBL5358073 0.75 CHRNA7 (0.36) KDM4EALDH1A1HSD17B10RAB9ASMN1; SMN2
SCHEMBL2900828 0.74 CHRNA7 (0.37) ALDH1A1HSD17B10CHRNA7HTR3ACHRM4
SCHEMBL5358060 0.73 CHRNA7 (0.39) CHRNA7HTR3ACHRM4CHRM5CHRM1
Hydrochloric Acid SCHEMBL2900298 0.73 CHRNA7 (0.39) ALDH1A1HSD17B10CHRNA7HTR3ACHRNB4
SCHEMBL5350554 0.72 CHRNA7 (0.38) GAACHRNA7HTR3A
SCHEMBL5355916 0.72 CHRNA7 (0.38) KDM4EALDH1A1GAAMAPTCHRNA7
SCHEMBL5353379 0.72 KDM4E (0.43) KDM4EALDH1A1HSD17B10NPC1RAB9A

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 KDM4E 2840/4885ALDH1A1 1023/4885POLB 2877/4885

“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.