SCHEMBL2638481

SCHEMBL2638481

C1=C[SeH2]C(c2nnc(N3CCN4CCC3CC4)o2)=C1

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 6/20 0.56
CHRNB4 P30926 2/20 0.43
CHRNA3 P32297 2/20 0.43
HTR3A P46098 4/20 0.40
KCNH2 Q12809 2/20 0.38
CHRM4 P08173 1/20 0.38
CHRM5 P08912 1/20 0.38
CHRM1 P11229 1/20 0.38
CHRM3 P20309 1/20 0.38
PIM1 P11309 1/20 0.38

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
SCHEMBL2638477 0.73 CHRNA7 (0.57) CHRNA7CHRNB4CHRNA3HTR3AKCNH2
SCHEMBL2639428 0.72 CHRNA7 (0.60) CHRNA7CHRNB4CHRNA3HTR3AKCNH2
SCHEMBL5347175 0.72 CHRNA7 (0.34) CHRNA7CHRNB4CHRNA3HTR3AKCNH2
SCHEMBL19488945 0.71 CHRNA7 (0.78) CHRNA7CHRNB4CHRNA3HTR3AKCNH2
SCHEMBL1688951 0.71 CHRNA7 (0.78) CHRNA7CHRNB4CHRNA3HTR3AKCNH2
SCHEMBL2637988 0.70 CHRNA7 (0.57) CHRNA7CHRNB4CHRNA3HTR3AKCNH2
SCHEMBL2638237 0.70 CHRNA7 (0.57) CHRNA7CHRNB4CHRNA3HTR3AKCNH2
SCHEMBL2641617 0.70 CHRNA7 (0.57) CHRNA7CHRNB4CHRNA3HTR3AKCNH2
SCHEMBL2638156 0.70 CHRNA7 (0.61) CHRNA7CHRNB4CHRNA3HTR3AKCNH2
SCHEMBL2641514 0.70 CHRNA7 (0.57) CHRNA7CHRNB4CHRNA3HTR3AKCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4711391-B2 2011-06-29 JP claimed
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-1551835-A1 NOVEL 1,4-DIAZABICYCLOALKANE DERIVATIVES, THEIR PREPARATION AND USE NeuroSearch A/S (DK) 2005-07-13 EP claimed
WO-2004029053-A1 NOVEL 1,4-DIAZABICYCLOALKANE DERIVATIVES, THEIR PREPARATION AND USE NEUROSEARCH A/S (DK) 2004-04-08 WO 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 2/4885CHRNB4 8/4885CHRNA3 7/4885

“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.