SCHEMBL5114054

SCHEMBL5114054

c1cc(-c2cncc(N3CCN4CC3C4)c2)ccn1

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CHRNB4 P30926 2/20 0.41
CHRNA3 P32297 2/20 0.41
MAPT P10636 3/20 0.35
NPSR1 Q6W5P4 2/20 0.35
LMNA P02545 2/20 0.35
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
CYP11B2 P19099 1/20 0.33

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
SCHEMBL5114121 0.90 CHRNB4 (0.39) CHRNB4CHRNA3
Hydrochloric Acid SCHEMBL5122842 0.89 CHRNA7 (0.39) CHRNB4CHRNA3
SCHEMBL5123104 0.88 CHRNB4 (0.52) CHRNB4CHRNA3CYP11B2
SCHEMBL5114117 0.88 CHRNB4 (0.37) CHRNB4CHRNA3CYP11B2
SCHEMBL5111557 0.87 CHRNB4 (0.43) CHRNB4CHRNA3MAPTNPSR1LMNA
SCHEMBL5108370 0.87 CHRNB4 (0.56) CHRNB4CHRNA3CYP11B2
SCHEMBL5109218 0.86 CHRNB4 (0.42) CHRNB4CHRNA3CYP11B2
SCHEMBL5115900 0.85 CHRNB4 (0.42) CHRNB4CHRNA3LMNACYP11B2
SCHEMBL5113006 0.85 CHRNA7 (0.37) CHRNB4CHRNA3CYP11B2
SCHEMBL5123625 0.82 CHRNB2 (0.44) CHRNB4CHRNA3L3MBTL1CYP11B2

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 CHRNB4 11/4885CHRNA3 14/4885MAPT 319/4885

“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.