SCHEMBL4036110

SCHEMBL4036110

c1cc2cc(-c3nnc(N4CCN5CCC4CC5)o3)ccc2o1

nearest known ligand 0.63

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 5/20 0.63
CHRNB4 P30926 2/20 0.56
CHRNA3 P32297 2/20 0.56
HTR3A P46098 4/20 0.46
CHRNB2 P17787 1/20 0.46
CHRNA4 P43681 1/20 0.46
KCNH2 Q12809 2/20 0.45
CHRM4 P08173 1/20 0.45
CHRM5 P08912 1/20 0.45
CHRM1 P11229 1/20 0.45
CHRM3 P20309 1/20 0.45

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
SCHEMBL4035168 0.91 CHRNA7 (0.63) CHRNA7CHRNB4CHRNA3HTR3AKCNH2
SCHEMBL2637916 0.82 CHRNA7 (0.67) CHRNA7CHRNB4CHRNA3HTR3A
SCHEMBL2638305 0.81 CHRNA7 (0.65) CHRNA7CHRNB4CHRNA3HTR3AKCNH2
SCHEMBL1688975 0.80 CHRNA7 (0.79) CHRNA7CHRNB4CHRNA3HTR3AKCNH2
SCHEMBL1396126 0.80 CHRNA7 (0.63) CHRNA7CHRNB4CHRNA3HTR3ACHRNB2
SCHEMBL2638541 0.79 CHRNA7 (0.78) CHRNA7CHRNB4CHRNA3HTR3AKCNH2
SCHEMBL1753505 0.79 CHRNA7 (0.78) CHRNA7CHRNB4CHRNA3HTR3AKCNH2
SCHEMBL4035455 0.79 CHRNA7 (0.62) CHRNA7CHRNB4CHRNA3HTR3AKCNH2
SCHEMBL232153 0.78 CHRNA7 (0.65) CHRNA7CHRNB4CHRNA3HTR3AKCNH2
SCHEMBL2638310 0.78 CHRNA7 (0.65) 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
EP-1785425-B1 1,4-Diazabicycloalkane derivatives, their preparation and use NEUROSEARCH AS (DK) 2009-03-25 EP 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-1785425-B1 1,4-Diazabicycloalkane derivatives, their preparation and use NEUROSEARCH AS (DK) 2009-03-25 EP disclosed
EP-2029560-A2 1,3-OXAZOLIDIN-2-ONE DERIVATIVES USEEFUL AS CETP INHIBITORS Merck & Co., Inc. (US) 2009-03-04 EP disclosed
WO-2007079186-A2 1, 3-OXAZOLIDIN-2-ONE DERIVATIVES USEFUL AS CETP INHIBITORS MERCK & CO., INC. (US) 2007-07-12 WO 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.