SCHEMBL5113006

SCHEMBL5113006

c1cc(-c2cncc(N3CCN4CCCC3CCC4)c2)ccn1

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 2/20 0.37
CHRNB4 P30926 3/20 0.36
CHRNA3 P32297 3/20 0.36
CYP11B2 P19099 1/20 0.34
CHRNB1 P11230 1/20 0.34
CHRNB2 P17787 1/20 0.34
CHRNB3 Q05901 1/20 0.34
HRH3 Q9Y5N1 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
SCHEMBL5111991 0.97 CHRNA7 (0.41) CHRNA7CHRNB4CHRNA3HRH3
SCHEMBL5114117 0.92 CHRNB4 (0.37) CHRNB4CHRNA3CYP11B2CHRNB1CHRNB2
SCHEMBL5116146 0.89 CHRNB4 (0.46) CHRNA7CHRNB4CHRNA3CHRNB1CHRNB2
SCHEMBL5112358 0.88 CHRNB4 (0.46) CHRNB4CHRNA3CHRNB1CHRNB2CHRNB3
SCHEMBL5122724 0.88 CHRNB4 (0.49) CHRNA7CHRNB4CHRNA3CYP11B2CHRNB1
SCHEMBL5108406 0.87 CHRNB4 (0.44) CHRNA7CHRNB4CHRNA3CYP11B2CHRNB1
SCHEMBL5107874 0.87 CHRNB4 (0.44) CHRNA7CHRNB4CHRNA3CHRNB1CHRNB2
SCHEMBL5116458 0.86 CHRNB4 (0.47) CHRNB4CHRNA3CYP11B2CHRNB1CHRNB2
SCHEMBL5107938 0.86 CHRNB4 (0.47) CHRNA7CHRNB4CHRNA3CYP11B2CHRNB1
SCHEMBL5114127 0.86 CHRNB4 (0.44) CHRNA7CHRNB4CHRNA3CHRNB1CHRNB2

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
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
US-20040106603-A1 Diazabicyclic compounds useful in the treatment of CNS and other disorders PFIZER INC 2004-06-03 US 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 13/4885CHRNB4 11/4885CHRNA3 14/4885

“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.