SCHEMBL5353555

SCHEMBL5353555

c1csc(-c2ccc(N3CCN4CCC3CC4)[nH]2)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 4/20 0.36
HTR3A P46098 2/20 0.36
DRD2 P14416 1/20 0.35
DRD4 P21917 1/20 0.35
DRD3 P35462 1/20 0.35
GAA P10253 1/20 0.35
GFER P55789 1/20 0.35
CHRM2 P08172 1/20 0.35
CHRM4 P08173 1/20 0.35
CHRM5 P08912 1/20 0.35
CHRM1 P11229 1/20 0.35
CHRM3 P20309 1/20 0.35
PARP1 P09874 1/20 0.34
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
HTR2B P41595 1/20 0.33
MEN1 O00255 1/20 0.33
RAB9A P51151 1/20 0.33
KMT2A Q03164 1/20 0.33
POLB P06746 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
SCHEMBL5355916 0.78 CHRNA7 (0.38) CHRNA7HTR3AGAAHTR2AHTR2C
SCHEMBL5350554 0.78 CHRNA7 (0.38) CHRNA7HTR3AGAAGFERHTR2A
SCHEMBL5352583 0.72 CHRNA7 (0.42) CHRNA7HTR3AGAACHRM2CHRM4
SCHEMBL5366414 0.72 CHRM4 (0.35) CHRNA7HTR3ADRD2DRD4DRD3
SCHEMBL1753834 0.71 CHRNA7 (0.60) CHRNA7HTR3ACHRM4CHRM5CHRM1
SCHEMBL5358073 0.71 CHRNA7 (0.36) CHRNA7HTR3ACHRM2CHRM4CHRM5
SCHEMBL2900828 0.70 CHRNA7 (0.37) CHRNA7HTR3ACHRM2CHRM4CHRM5
SCHEMBL5353203 0.70 PRKDC (0.40) CHRNA7HTR3ACHRM2CHRM4CHRM5
SCHEMBL5359078 0.70 HTR3A (0.45) CHRNA7HTR3ACHRM4CHRM5CHRM1
SCHEMBL5358060 0.69 CHRNA7 (0.39) CHRNA7HTR3ACHRM2CHRM4CHRM5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 5/4885HTR3A 79/4885DRD2 57/4885

“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.