SCHEMBL5116020

SCHEMBL5116020

FC(F)(F)c1ccccc1-c1cncc(N2CCN3CCC2C3)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 1/20 0.36
PGR P06401 1/20 0.36
KCNH2 Q12809 1/20 0.36
SCN9A Q15858 1/20 0.36
CNR2 P34972 1/20 0.35
TRPA1 O75762 2/20 0.35
SCD5 Q86SK9 1/20 0.34
TRPM8 Q7Z2W7 1/20 0.34
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34
CYP1A2 P05177 5/20 0.33
CYP2C19 P33261 5/20 0.33
CYP3A4 P08684 3/20 0.33
CYP2D6 P10635 3/20 0.33
TSHR P16473 2/20 0.33
CLK4 Q9HAZ1 2/20 0.33
USP2 O75604 1/20 0.33
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33
MEN1 O00255 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
Hydrochloric Acid SCHEMBL5111534 0.99 NR3C1 (0.36) NR3C1PGRKCNH2SCN9ACNR2
SCHEMBL5110542 0.94 CNR2 (0.39) NR3C1PGRSCN9ACNR2TRPA1
SCHEMBL5114036 0.92 NR3C1 (0.38) NR3C1PGRSCN9ACNR2TRPA1
SCHEMBL5108586 0.89 KCNH2 (0.39) NR3C1PGRKCNH2SCN9ACNR2
SCHEMBL5116003 0.87 CNR2 (0.38) NR3C1PGRKCNH2SCN9ACNR2
SCHEMBL5110062 0.86 PIM1 (0.40) KCNH2CYP11B1CYP11B2
Hydrochloric Acid SCHEMBL5112800 0.85 PIM1 (0.39) KCNH2CYP11B1CYP11B2
SCHEMBL5111263 0.83 CHRNB4 (0.43) NR3C1PGRKCNH2
Hydrochloric Acid SCHEMBL5122378 0.82 CHRNB4 (0.42) NR3C1PGRKCNH2
SCHEMBL5108587 0.81 CYP11B1 (0.43) KCNH2CYP11B1CYP11B2

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7442694-B2 Diazabicyclic compounds useful in the treatment of CNS and other disorders PFIZER INC (US) 2008-10-28 US claimed
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
EP-1551843-A1 DIAZABICYCLIC COMPOUNDS USEFUL IN THE TREATMENT OF CNS AND OTHER DISORDERS Pfizer Products Inc. (US) 2005-07-13 EP disclosed
US-20040106603-A1 Diazabicyclic compounds useful in the treatment of CNS and other disorders PFIZER INC 2004-06-03 US disclosed
WO-2004024729-A1 DIAZABICYCLIC COMPOUNDS USEFUL IN THE TREATMENT OF CNS AND OTHER DISORDERS PFIZER PRODUCTS INC. (US) 2004-03-25 WO 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 NR3C1 149/4885PGR 2057/4885KCNH2 1656/4885

“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.