SCHEMBL5110025

SCHEMBL5110025

Clc1ccc(N2CCN3CCCC2CC3)nc1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 5/20 0.45
HTR3A P46098 4/20 0.45
KCNH2 Q12809 3/20 0.45
CNR2 P34972 1/20 0.39
GPR119 Q8TDV5 1/20 0.36
DRD4 P21917 2/20 0.36
PDE10A Q9Y233 1/20 0.36
HTR1A P08908 1/20 0.36
HTR2A P28223 1/20 0.36
SLC6A4 P31645 1/20 0.36
HTR7 P34969 1/20 0.36
DRD3 P35462 1/20 0.36
DRD2 P14416 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
SCHEMBL5120930 0.97 KCNH2 (0.41) CHRNA7HTR3AKCNH2CNR2GPR119
SCHEMBL5116623 0.89 KCNH2 (0.39) CHRNA7HTR3AKCNH2CNR2
SCHEMBL5122066 0.89 CNR2 (0.39) CHRNA7HTR3AKCNH2CNR2GPR119
SCHEMBL5117442 0.86 CNR2 (0.40) CHRNA7HTR3AKCNH2CNR2
SCHEMBL5111213 0.85 KCNH2 (0.41) CHRNA7HTR3AKCNH2CNR2GPR119
Hydrochloric Acid SCHEMBL5115238 0.84 CHRNA7 (0.40) CHRNA7HTR3AKCNH2CNR2GPR119
SCHEMBL5112298 0.83 HTR3A (0.45) CHRNA7HTR3AKCNH2PDE10A
SCHEMBL5112996 0.81 CNR2 (0.51) CHRNA7HTR3AKCNH2CNR2
SCHEMBL5107967 0.80 CNR2 (0.40) CHRNA7HTR3AKCNH2CNR2GPR119
SCHEMBL5116195 0.79 HTR3A (0.41) CHRNA7HTR3AKCNH2PDE10A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1551843-A1 DIAZABICYCLIC COMPOUNDS USEFUL IN THE TREATMENT OF CNS AND OTHER DISORDERS Pfizer Products Inc. (US) 2005-07-13 EP claimed
US-20040106603-A1 Diazabicyclic compounds useful in the treatment of CNS and other disorders PFIZER INC 2004-06-03 US claimed
WO-2004024729-A1 DIAZABICYCLIC COMPOUNDS USEFUL IN THE TREATMENT OF CNS AND OTHER DISORDERS PFIZER PRODUCTS INC. (US) 2004-03-25 WO 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 314/4885KCNH2 1656/4885

“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.