SCHEMBL5111991

SCHEMBL5111991

c1cc(-c2cncc(N3CCN4CCCC3CC4)c2)ccn1

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 2/20 0.41
KCNH2 Q12809 2/20 0.35
HRH3 Q9Y5N1 1/20 0.35
CHRNB4 P30926 1/20 0.34
CHRNA3 P32297 1/20 0.34
HTR3A P46098 1/20 0.34

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
SCHEMBL5113006 0.97 CHRNA7 (0.37) CHRNA7HRH3CHRNB4CHRNA3
SCHEMBL5114117 0.90 CHRNB4 (0.37) HRH3CHRNB4CHRNA3
SCHEMBL5107874 0.90 CHRNB4 (0.44) CHRNA7KCNH2CHRNB4CHRNA3HTR3A
SCHEMBL5114127 0.89 CHRNB4 (0.44) CHRNA7KCNH2CHRNB4CHRNA3HTR3A
SCHEMBL5107938 0.89 CHRNB4 (0.47) CHRNA7KCNH2CHRNB4CHRNA3HTR3A
SCHEMBL5108171 0.88 CHRNB4 (0.42) CHRNA7KCNH2CHRNB4CHRNA3HTR3A
SCHEMBL5111716 0.87 CHRNB4 (0.45) CHRNA7HRH3CHRNB4CHRNA3HTR3A
SCHEMBL5116146 0.87 CHRNB4 (0.46) CHRNA7KCNH2CHRNB4CHRNA3
SCHEMBL5114121 0.87 CHRNB4 (0.39) CHRNA7CHRNB4CHRNA3
SCHEMBL5112358 0.86 CHRNB4 (0.46) CHRNB4CHRNA3

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 13/4885KCNH2 1656/4885HRH3 2320/4885

“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.