SCHEMBL5111557

SCHEMBL5111557

Cc1ccc(-c2cncc(N3CCN4CC3C4)c2)cc1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CHRNB4 P30926 7/20 0.43
CHRNA3 P32297 7/20 0.43
CHRNB2 P17787 5/20 0.40
CHRNB1 P11230 1/20 0.40
CHRNB3 Q05901 1/20 0.40
CHRNA4 P43681 4/20 0.39
MAPT P10636 2/20 0.37
NPSR1 Q6W5P4 2/20 0.37
TDP1 Q9NUW8 2/20 0.37
LMNA P02545 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
HTT P42858 1/20 0.37

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
SCHEMBL5112661 0.91 CHRNB4 (0.40) CHRNB4CHRNA3CHRNB2CHRNB1CHRNB3
SCHEMBL5108370 0.89 CHRNB4 (0.56) CHRNB4CHRNA3CHRNB2CHRNB1CHRNB3
SCHEMBL5107979 0.88 CHRNB4 (0.44) CHRNB4CHRNA3CHRNB2CHRNB1CHRNB3
SCHEMBL5109218 0.87 CHRNB4 (0.42) CHRNB4CHRNA3CHRNB2CHRNB1CHRNB3
SCHEMBL5114054 0.87 CHRNB4 (0.41) CHRNB4CHRNA3MAPTNPSR1TDP1
SCHEMBL5123104 0.87 CHRNB4 (0.52) CHRNB4CHRNA3CHRNB2CHRNB1CHRNB3
SCHEMBL5123625 0.87 CHRNB2 (0.44) CHRNB4CHRNA3CHRNB2CHRNB1CHRNB3
SCHEMBL5112358 0.85 CHRNB4 (0.46) CHRNB4CHRNA3CHRNB2CHRNB1CHRNB3
SCHEMBL5115900 0.84 CHRNB4 (0.42) CHRNB4CHRNA3CHRNB2CHRNB1CHRNB3
SCHEMBL5114127 0.83 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 3 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
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 14/4885CHRNB2 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.