SCHEMBL2638532

SCHEMBL2638532

COc1cccc(-c2nnc(N3CCN4CCC3CC4)o2)c1

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 3/20 0.60
CHRNB4 P30926 1/20 0.51
CHRNA3 P32297 1/20 0.51
KDM4E B2RXH2 4/20 0.50
KMT2A Q03164 2/20 0.50
ALDH1A1 P00352 3/20 0.47
NPC1 O15118 3/20 0.47
HPGD P15428 3/20 0.47
RAB9A P51151 3/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
MEN1 O00255 1/20 0.46
TP53 P04637 1/20 0.46
MAPT P10636 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
CHRNB2 P17787 1/20 0.44
CHRNA4 P43681 1/20 0.44
HTR3A P46098 1/20 0.44
LRRK2 Q5S007 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
SCHEMBL3652673 0.88 CHRNA7 (0.59) CHRNA7CHRNB4CHRNA3HTR3A
SCHEMBL2112299 0.86 CHRNA7 (0.73) CHRNA7CHRNB4CHRNA3KDM4EKMT2A
SCHEMBL1689258 0.84 CHRNA7 (0.66) CHRNA7CHRNB4CHRNA3KDM4EKMT2A
SCHEMBL1689004 0.82 CHRNA7 (0.64) CHRNA7CHRNB4CHRNA3KDM4EKMT2A
SCHEMBL1689172 0.82 CHRNA7 (0.75) CHRNA7CHRNB4CHRNA3CHRNB2CHRNA4
SCHEMBL1689067 0.82 CHRNA7 (0.64) CHRNA7CHRNB4CHRNA3NPC1RAB9A
SCHEMBL1753505 0.81 CHRNA7 (0.78) CHRNA7CHRNB4CHRNA3NPC1RAB9A
Hydrochloric Acid SCHEMBL2112287 0.81 CHRNA7 (0.73) CHRNA7CHRNB4CHRNA3CHRNB2CHRNA4
SCHEMBL2637916 0.80 CHRNA7 (0.67) CHRNA7CHRNB4CHRNA3ALDH1A1HPGD
SCHEMBL1395841 0.80 CHRNA7 (0.58) CHRNA7CHRNB4CHRNA3KDM4EALDH1A1

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.