SCHEMBL5115900

SCHEMBL5115900

FC(F)(F)c1ccc(-c2cncc(N3CCN4CC3C4)c2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB4 P30926 4/20 0.42
CHRNA3 P32297 4/20 0.42
CHRNB1 P11230 1/20 0.42
CHRNB2 P17787 1/20 0.42
CHRNB3 Q05901 1/20 0.42
KIF11 P52732 1/20 0.38
FPR1 P21462 1/20 0.37
FPR2 P25090 1/20 0.37
PIP4K2B P78356 1/20 0.36
KDM1A O60341 1/20 0.36
HDAC1 Q13547 1/20 0.36
NR1H2 P55055 1/20 0.35
NR1H3 Q13133 1/20 0.35
CYP11B1 P15538 2/20 0.35
CYP11B2 P19099 2/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
CYP1A2 P05177 1/20 0.35
HPGD P15428 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
SCHEMBL5108697 0.91 CHRNB4 (0.42) CHRNB4CHRNA3CHRNB1CHRNB2CHRNB3
Hydrochloric Acid SCHEMBL5111544 0.90 CHRNB4 (0.41) CHRNB4CHRNA3CHRNB1CHRNB2CHRNB3
SCHEMBL5108060 0.89 CHRNB4 (0.45) CHRNB4CHRNA3CHRNB1CHRNB2CHRNB3
SCHEMBL5108370 0.87 CHRNB4 (0.56) CHRNB4CHRNA3CHRNB1CHRNB2CHRNB3
SCHEMBL5116458 0.86 CHRNB4 (0.47) CHRNB4CHRNA3CHRNB1CHRNB2CHRNB3
SCHEMBL5120701 0.86 CYP11B2 (0.45) CHRNB4CHRNA3KDM1ACYP11B1CYP11B2
SCHEMBL5114054 0.85 CHRNB4 (0.41) CHRNB4CHRNA3CYP11B2LMNA
SCHEMBL5111716 0.84 CHRNB4 (0.45) CHRNB4CHRNA3CHRNB1CHRNB2CHRNB3
SCHEMBL5111557 0.84 CHRNB4 (0.43) CHRNB4CHRNA3CHRNB1CHRNB2CHRNB3
SCHEMBL6836268 0.84 NR1H2 (0.43) CHRNB4CHRNA3CHRNB2NR1H2NR1H3

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.