SCHEMBL2638577

SCHEMBL2638577

Cn1c(-c2nnc(N3CCN4CCC3CC4)s2)cc2ccccc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.40
KDM4E B2RXH2 3/20 0.39
MAPT P10636 3/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
MEN1 O00255 2/20 0.39
ALDH1A1 P00352 2/20 0.39
ADRA2A P08913 1/20 0.38
CHRNA7 P36544 3/20 0.38
HTR3A P46098 1/20 0.38
ATM Q13315 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
CYP11B2 P19099 1/20 0.37
HPGD P15428 1/20 0.36
RECQL P46063 1/20 0.36
HRH3 Q9Y5N1 4/20 0.36
TERT O14746 1/20 0.36
CHRNB1 P11230 1/20 0.35
CHRNB2 P17787 1/20 0.35
CHRNB4 P30926 1/20 0.35

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
SCHEMBL2638211 0.82 KDM4E (0.43) KMT2AKDM4EMAPTNPC1RAB9A
SCHEMBL2638565 0.77 HRH3 (0.56) ALDH1A1CHRNA7HTR3AHRH3
SCHEMBL2639709 0.77 CHRNA7 (0.43) CHRNA7HTR3AHRH3CHRNA3
SCHEMBL2641481 0.77 CHRNA7 (0.40) NPC1CHRNA7HTR3AHRH3CHRNA3
Bromide SCHEMBL5671610 0.76 HRH3 (0.55) ALDH1A1CHRNA7HTR3AHRH3
SCHEMBL4035601 0.76 CHRNA7 (0.54) CHRNA7HTR3ACHRNB4CHRNA3
SCHEMBL4036389 0.76 CHRNA7 (0.39) CHRNA7HTR3AHRH3
SCHEMBL2638140 0.76 HRH3 (0.38) CHRNA7HTR3AHRH3CHRNB4CHRNA3
SCHEMBL4039807 0.75 CHRNA7 (0.44) RAB9ACHRNA7HTR3AHRH3CHRNA3
SCHEMBL2638197 0.75 CHRNA7 (0.46) MAPTNPC1RAB9ACHRNA7HTR3A

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 KMT2A 2662/4885KDM4E 2523/4885MAPT 1405/4885

“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.