SCHEMBL4035879

SCHEMBL4035879

c1ccc2c(-c3nnc(N4CCN5CCC4CC5)o3)csc2c1

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 6/20 0.55
HTR3A P46098 3/20 0.45
CHRNB4 P30926 2/20 0.45
CHRNA3 P32297 2/20 0.45
CHRM4 P08173 2/20 0.41
CHRM5 P08912 2/20 0.41
CHRM1 P11229 2/20 0.41
CHRM3 P20309 2/20 0.41
CHRM2 P08172 1/20 0.41
KCNH2 Q12809 2/20 0.40

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
SCHEMBL1689257 0.79 CHRNA7 (0.68) CHRNA7HTR3ACHRNB4CHRNA3CHRM4
SCHEMBL1688939 0.79 CHRNA7 (0.61) CHRNA7HTR3ACHRNB4CHRNA3KCNH2
SCHEMBL4034025 0.79 CHRNA7 (0.55) CHRNA7HTR3ACHRNB4CHRNA3CHRM4
SCHEMBL4035796 0.78 CHRNA7 (0.56) CHRNA7HTR3ACHRNB4CHRNA3CHRM4
SCHEMBL1753505 0.77 CHRNA7 (0.78) CHRNA7HTR3ACHRNB4CHRNA3CHRM4
SCHEMBL2639221 0.76 CHRNA7 (0.61) CHRNA7HTR3ACHRNB4CHRNA3KCNH2
SCHEMBL2638905 0.76 CHRNA7 (0.61) CHRNA7HTR3ACHRNB4CHRNA3KCNH2
SCHEMBL516861 0.76 CHRNA7 (0.54) CHRNA7HTR3ACHRNB4CHRNA3CHRM4
SCHEMBL4034026 0.76 CHRNA7 (0.54) CHRNA7HTR3ACHRNB4CHRNA3CHRM4
SCHEMBL2638838 0.76 CHRNA7 (0.54) CHRNA7HTR3ACHRNB4CHRNA3CHRM4

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-1785425-A2 Novel 1,4-diazabicycloalkane derivatives, their preparation and use NeuroSearch A/S (DK) 2007-05-16 EP claimed
US-20060122172-A1 Novel 1,4-diazabicycloalkane derivatives, their preparation and use DANPET AB (SE) 2006-06-08 US claimed
EP-1785425-B1 1,4-Diazabicycloalkane derivatives, their preparation and use NEUROSEARCH AS (DK) 2009-03-25 EP disclosed
US-7220741-B2 1,4-diazabicycloalkane derivatives, their preparation and use NEUROSEARCH A/S (DK) 2007-05-22 US disclosed
EP-1785425-A2 Novel 1,4-diazabicycloalkane derivatives, their preparation and use NeuroSearch A/S (DK) 2007-05-16 EP disclosed
US-20060122172-A1 Novel 1,4-diazabicycloalkane derivatives, their preparation and use DANPET AB (SE) 2006-06-08 US disclosed
EP-1551835-A1 NOVEL 1,4-DIAZABICYCLOALKANE DERIVATIVES, THEIR PREPARATION AND USE NeuroSearch A/S (DK) 2005-07-13 EP disclosed
WO-2004029053-A1 NOVEL 1,4-DIAZABICYCLOALKANE DERIVATIVES, THEIR PREPARATION AND USE NEUROSEARCH A/S (DK) 2004-04-08 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-20060122172-A1 Novel 1,4-diazabicycloalkane derivatives, their preparation and use CHRNA5, CHRNA7, CHRNA6 CHRNA7 2/4885HTR3A 164/4885CHRNB4 8/4885

“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.