SCHEMBL5116458

SCHEMBL5116458

FC(F)(F)c1ccc(-c2cncc(N3CCN4CCCC3CCC4)c2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB4 P30926 4/20 0.47
CHRNA3 P32297 4/20 0.47
CHRNB1 P11230 3/20 0.47
CHRNB2 P17787 3/20 0.47
CHRNB3 Q05901 3/20 0.47
FPR1 P21462 1/20 0.41
FPR2 P25090 1/20 0.41
MEN1 O00255 2/20 0.39
GAA P10253 2/20 0.39
MAPT P10636 2/20 0.39
KMT2A Q03164 2/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPK1 P28482 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
HRH3 Q9Y5N1 1/20 0.37
KDM4E B2RXH2 1/20 0.37
PIP4K2B P78356 1/20 0.36
CYP11B2 P19099 4/20 0.36
CYP11B1 P15538 3/20 0.36
KIF11 P52732 1/20 0.36

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
SCHEMBL5111716 0.98 CHRNB4 (0.45) CHRNB4CHRNA3CHRNB1CHRNB2CHRNB3
SCHEMBL5108060 0.93 CHRNB4 (0.45) CHRNB4CHRNA3CHRNB1CHRNB2CHRNB3
SCHEMBL5122724 0.88 CHRNB4 (0.49) CHRNB4CHRNA3CHRNB1CHRNB2CHRNB3
SCHEMBL5108601 0.87 CYP11B1 (0.43) CHRNB4CHRNA3CHRNB1CHRNB2CHRNB3
SCHEMBL5115900 0.86 CHRNB4 (0.42) CHRNB4CHRNA3CHRNB1CHRNB2CHRNB3
SCHEMBL5113006 0.86 CHRNA7 (0.37) CHRNB4CHRNA3CHRNB1CHRNB2CHRNB3
SCHEMBL5108697 0.86 CHRNB4 (0.42) CHRNB4CHRNA3CHRNB1CHRNB2CHRNB3
SCHEMBL5115363 0.85 CYP11B1 (0.41) MEN1GAAMAPTKMT2AALDH1A1
SCHEMBL5107938 0.85 CHRNB4 (0.47) CHRNB4CHRNA3CHRNB1CHRNB2CHRNB3
SCHEMBL5112358 0.85 CHRNB4 (0.46) CHRNB4CHRNA3CHRNB1CHRNB2CHRNB3

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 14/4885CHRNB1 20/4885

“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.