SCHEMBL2641600

SCHEMBL2641600

c1cc(-c2nnc(N3CCN4CCC3CC4)o2)ccn1

nearest known ligand 0.76

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 6/20 0.76
CHRNB4 P30926 2/20 0.53
CHRNA3 P32297 2/20 0.53
HTR3A P46098 3/20 0.46
TP53 P04637 1/20 0.46
PKM P14618 1/20 0.46
CYP2C19 P33261 1/20 0.43
CHRM4 P08173 1/20 0.43
CHRM5 P08912 1/20 0.43
CHRM1 P11229 1/20 0.43
CHRM3 P20309 1/20 0.43
KCNH2 Q12809 1/20 0.43

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
SCHEMBL1753505 0.87 CHRNA7 (0.78) CHRNA7CHRNB4CHRNA3HTR3ACHRM4
SCHEMBL1689175 0.86 CHRNA7 (1.00) CHRNA7CHRNB4CHRNA3HTR3ATP53
SCHEMBL18016318 0.86 CHRNA7 (1.00) CHRNA7CHRNB4CHRNA3HTR3ATP53
SCHEMBL2637914 0.85 CHRNA7 (0.67) CHRNA7CHRNB4CHRNA3HTR3ACHRM4
SCHEMBL19488945 0.85 CHRNA7 (0.78) CHRNA7CHRNB4CHRNA3HTR3ACHRM4
SCHEMBL1688951 0.85 CHRNA7 (0.78) CHRNA7CHRNB4CHRNA3HTR3ACHRM4
SCHEMBL3031137 0.85 CHRNA7 (0.78) CHRNA7CHRNB4CHRNA3HTR3ACHRM4
SCHEMBL1689084 0.85 CHRNA7 (0.78) CHRNA7CHRNB4CHRNA3HTR3ACHRM4
SCHEMBL1689205 0.85 CHRNA7 (0.78) CHRNA7CHRNB4CHRNA3HTR3ACHRM4
SCHEMBL2638541 0.85 CHRNA7 (0.78) CHRNA7CHRNB4CHRNA3HTR3ACHRM4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4711391-B2 2011-06-29 JP claimed
US-7220741-B2 1,4-diazabicycloalkane derivatives, their preparation and use NEUROSEARCH A/S (DK) 2007-05-22 US claimed
EP-1785425-A2 Novel 1,4-diazabicycloalkane derivatives, their preparation and use NeuroSearch A/S (DK) 2007-05-16 EP claimed
EP-1551835-B1 NOVEL 1,4-DIAZABICYCLOALKANE DERIVATIVES, THEIR PREPARATION AND USE NEUROSEARCH AS (DK) 2007-02-14 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
EP-1551835-B1 NOVEL 1,4-DIAZABICYCLOALKANE DERIVATIVES, THEIR PREPARATION AND USE NEUROSEARCH AS (DK) 2007-02-14 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.