SCHEMBL5116146

SCHEMBL5116146

c1ccc(-c2cncc(N3CCN4CCCC3CCC4)c2)cc1

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CHRNB4 P30926 3/20 0.46
CHRNA3 P32297 3/20 0.46
CHRNB2 P17787 2/20 0.42
CHRNB1 P11230 1/20 0.42
CHRNB3 Q05901 1/20 0.42
CHRNA7 P36544 3/20 0.37
KCNH2 Q12809 1/20 0.36
CHRNA4 P43681 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
SCHEMBL5107874 0.97 CHRNB4 (0.44) CHRNB4CHRNA3CHRNB2CHRNB1CHRNB3
SCHEMBL5110318 0.92 CHRNB4 (0.47) CHRNB4CHRNA3CHRNB2CHRNB1CHRNB3
SCHEMBL6976933 0.92 CHRNB4 (0.48) CHRNB4CHRNA3CHRNA7KCNH2
SCHEMBL5113006 0.89 CHRNA7 (0.37) CHRNB4CHRNA3CHRNB2CHRNB1CHRNB3
SCHEMBL5122724 0.88 CHRNB4 (0.49) CHRNB4CHRNA3CHRNB2CHRNB1CHRNB3
SCHEMBL5112358 0.88 CHRNB4 (0.46) CHRNB4CHRNA3CHRNB2CHRNB1CHRNB3
SCHEMBL5108406 0.87 CHRNB4 (0.44) CHRNB4CHRNA3CHRNB2CHRNB1CHRNB3
SCHEMBL5111991 0.87 CHRNA7 (0.41) CHRNB4CHRNA3CHRNA7KCNH2
SCHEMBL5111957 0.86 ALPL (0.38)
SCHEMBL5114127 0.86 CHRNB4 (0.44) CHRNB4CHRNA3CHRNB2CHRNB1CHRNB3

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 CHRNB4 11/4885CHRNA3 14/4885CHRNB2 10/4885

“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.