SCHEMBL5111451

SCHEMBL5111451

c1ccc(N2CCN3CCCC2CCC3)nc1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 4/20 0.42
HTR3A P46098 2/20 0.42
KDM4E B2RXH2 3/20 0.41
ALDH1A1 P00352 2/20 0.41
MAPT P10636 1/20 0.41
HTT P42858 1/20 0.41
PLD1 Q13393 1/20 0.40
CHI3L1 P36222 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39
CRBN Q96SW2 1/20 0.39
GRM5 P41594 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
PDE4A P27815 1/20 0.38
PDE4B Q07343 1/20 0.38
PDE4C Q08493 1/20 0.38
PDE4D Q08499 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
SCHEMBL5111206 0.97 CHRNA7 (0.46) CHRNA7HTR3AKDM4EALDH1A1MAPT
SCHEMBL5109486 0.91 KDM4E (0.39) KDM4EALDH1A1MAPTHTTPLD1
SCHEMBL5108382 0.81 PLD1 (0.43) KDM4EPLD1CRBN
SCHEMBL5107936 0.81 CHRNA7 (0.42) CHRNA7HTR3AKDM4EPLD1CRBN
Hydrochloric Acid SCHEMBL5111349 0.79 CHRNA7 (0.44) CHRNA7HTR3AKDM4EPLD1CRBN
SCHEMBL5121931 0.77 KDM4E (0.38) HTR3AKDM4E
SCHEMBL20336407 0.75 ALDH1A1 (0.42) KDM4EALDH1A1MAPTHTTPLD1
SCHEMBL5111763 0.75 HTR3A (0.39) CHRNA7HTR3AKDM4E
SCHEMBL5116195 0.75 HTR3A (0.41) CHRNA7HTR3AALDH1A1
SCHEMBL6354342 0.73 KDM4E (0.43) KDM4EALDH1A1MAPTHTTPLD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040106603-A1 Diazabicyclic compounds useful in the treatment of CNS and other disorders PFIZER INC 2004-06-03 US claimed
US-7442694-B2 Diazabicyclic compounds useful in the treatment of CNS and other disorders PFIZER INC (US) 2008-10-28 US disclosed
EP-1551843-A1 DIAZABICYCLIC COMPOUNDS USEFUL IN THE TREATMENT OF CNS AND OTHER DISORDERS Pfizer Products Inc. (US) 2005-07-13 EP disclosed
US-20040106603-A1 Diazabicyclic compounds useful in the treatment of CNS and other disorders PFIZER INC 2004-06-03 US disclosed
WO-2004024729-A1 DIAZABICYCLIC COMPOUNDS USEFUL IN THE TREATMENT OF CNS AND OTHER DISORDERS PFIZER PRODUCTS INC. (US) 2004-03-25 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-20040106603-A1 Diazabicyclic compounds useful in the treatment of CNS and other disorders DBH, CHRNA6, DDT CHRNA7 13/4885HTR3A 314/4885KDM4E 1525/4885

“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.