SCHEMBL5111871

SCHEMBL5111871

Clc1cncc(N2CCN3CCCC2CC3)c1

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 5/20 0.45
CHRNA7 P36544 5/20 0.45
HTR3A P46098 3/20 0.45
CHRNB2 P17787 5/20 0.45
CHRNA4 P43681 5/20 0.45
CHRNB4 P30926 3/20 0.45
CHRNA3 P32297 3/20 0.45
CHRNA1 P02708 1/20 0.40

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
SCHEMBL5114322 0.97 CHRNB2 (0.47) KCNH2CHRNA7HTR3ACHRNB2CHRNA4
SCHEMBL5112706 0.89 CHRNB2 (0.48) KCNH2CHRNA7HTR3ACHRNB2CHRNA4
SCHEMBL5114518 0.85 CHRNB2 (0.50) KCNH2CHRNA7HTR3ACHRNB2CHRNA4
SCHEMBL5108171 0.84 CHRNB4 (0.42) KCNH2CHRNA7HTR3ACHRNB2CHRNB4
Hydrochloric Acid SCHEMBL5110444 0.84 CHRNB2 (0.49) KCNH2CHRNA7HTR3ACHRNB2CHRNA4
SCHEMBL5120985 0.83 HTR3A (0.45) KCNH2CHRNA7HTR3ACHRNB2CHRNA4
SCHEMBL5114020 0.81 CHRNA7 (0.37) KCNH2CHRNA7HTR3A
SCHEMBL5108406 0.81 CHRNB4 (0.44) KCNH2CHRNA7HTR3ACHRNB2CHRNB4
SCHEMBL5114646 0.81 CHRNB2 (0.46) KCNH2CHRNA7HTR3ACHRNB2CHRNA4
SCHEMBL5112611 0.80 CHRNA7 (0.40) KCNH2CHRNA7HTR3ACHRNB2CHRNA4

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 KCNH2 1656/4885CHRNA7 13/4885HTR3A 314/4885

“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.