SCHEMBL5115818

SCHEMBL5115818

FC(F)(F)c1cccc(-c2ccc(N3CCN4CC3C4)nc2)c1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 2/20 0.44
HDAC6 Q9UBN7 2/20 0.44
MGLL Q99685 1/20 0.43
MAOB P27338 2/20 0.40
CNR2 P34972 1/20 0.40
KDM1A O60341 2/20 0.40
CHRNA7 P36544 2/20 0.39
KCNH2 Q12809 2/20 0.39
GRIN2B Q13224 6/20 0.39
NR3C1 P04150 1/20 0.39
PGR P06401 1/20 0.39
SLC6A7 Q99884 1/20 0.39
ALDH1A1 P00352 1/20 0.39
GAA P10253 1/20 0.39
ATM Q13315 1/20 0.39
GRIN1 Q05586 3/20 0.39
S1PR5 Q9H228 1/20 0.38
HDAC1 Q13547 1/20 0.38
DGAT1 O75907 1/20 0.38

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
SCHEMBL5110600 0.92 HDAC8 (0.42) HDAC8HDAC6MGLLMAOBCNR2
Hydrochloric Acid SCHEMBL5108802 0.91 HDAC8 (0.42) HDAC8HDAC6MGLLMAOBCNR2
SCHEMBL5110873 0.90 HDAC8 (0.41) HDAC8HDAC6MGLLCNR2GRIN2B
SCHEMBL5115720 0.87 HDAC8 (0.42) HDAC8HDAC6MGLLMAOBCNR2
SCHEMBL5108182 0.85 HDAC8 (0.41) HDAC8HDAC6MGLLCNR2GRIN2B
SCHEMBL5123098 0.85 CHRNA7 (0.42) HDAC8HDAC6CNR2CHRNA7KCNH2
SCHEMBL5116552 0.81 CNR2 (0.56) MGLLCNR2CHRNA7KCNH2SLC6A7
SCHEMBL5120701 0.79 CYP11B2 (0.45) MGLLKDM1AGRIN2BNR3C1PGR
SCHEMBL5110533 0.77 CHRNA7 (0.41) HDAC8HDAC6CNR2CHRNA7KCNH2
Hydrochloric Acid SCHEMBL5122041 0.76 CHRNA7 (0.41) HDAC8HDAC6CNR2CHRNA7KCNH2

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 HDAC8 1608/4885HDAC6 258/4885MGLL 2413/4885

“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.