SCHEMBL4039178

SCHEMBL4039178

c1ccn2cc(-c3nnc(N4CCN5CCC4CC5)o3)cc2c1

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 5/20 0.60
CHRNB4 P30926 1/20 0.51
CHRNA3 P32297 1/20 0.51
HTR3A P46098 2/20 0.44
MEN1 O00255 1/20 0.38
NPC1 O15118 1/20 0.38
ALDH1A1 P00352 1/20 0.38
POLB P06746 1/20 0.38
MAPT P10636 1/20 0.38
RAB9A P51151 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
KCNH2 Q12809 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
SCHEMBL1753505 0.81 CHRNA7 (0.78) CHRNA7CHRNB4CHRNA3HTR3ANPC1
SCHEMBL2638541 0.79 CHRNA7 (0.78) CHRNA7CHRNB4CHRNA3HTR3AKCNH2
SCHEMBL2637916 0.78 CHRNA7 (0.67) CHRNA7CHRNB4CHRNA3HTR3AALDH1A1
SCHEMBL1689205 0.77 CHRNA7 (0.78) CHRNA7CHRNB4CHRNA3HTR3AKCNH2
SCHEMBL2638715 0.76 CHRNA7 (0.65) CHRNA7CHRNB4CHRNA3HTR3AKCNH2
SCHEMBL2638305 0.76 CHRNA7 (0.65) CHRNA7CHRNB4CHRNA3HTR3AKCNH2
SCHEMBL2638310 0.76 CHRNA7 (0.65) CHRNA7CHRNB4CHRNA3HTR3AKCNH2
SCHEMBL2638209 0.76 CHRNA7 (0.68) CHRNA7CHRNB4CHRNA3HTR3AKCNH2
SCHEMBL2641600 0.75 CHRNA7 (0.76) CHRNA7CHRNB4CHRNA3HTR3AKCNH2
SCHEMBL1689175 0.75 CHRNA7 (1.00) CHRNA7CHRNB4CHRNA3HTR3ANPC1

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 2/4885CHRNB4 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.