SCHEMBL5116003

SCHEMBL5116003

FC(F)(F)c1ccccc1-c1cncc(N2CCN3CCCC2CCC3)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.38
NR3C1 P04150 1/20 0.36
PGR P06401 1/20 0.36
KDM2B Q8NHM5 1/20 0.36
KCNH2 Q12809 1/20 0.36
SCN9A Q15858 1/20 0.36
TRPA1 O75762 2/20 0.35
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
PIM1 P11309 2/20 0.33
USP2 O75604 1/20 0.33
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 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
SCHEMBL5108586 0.98 KCNH2 (0.39) CNR2NR3C1PGRKDM2BKCNH2
SCHEMBL5110542 0.94 CNR2 (0.39) CNR2NR3C1PGRKDM2BSCN9A
SCHEMBL5114036 0.87 NR3C1 (0.38) CNR2NR3C1PGRSCN9ATRPA1
SCHEMBL5116020 0.87 NR3C1 (0.36) CNR2NR3C1PGRKCNH2SCN9A
SCHEMBL5120729 0.86 PIM1 (0.41) KCNH2PIM1CYP11B1CYP11B2ALOX5AP
Hydrochloric Acid SCHEMBL5111534 0.86 NR3C1 (0.36) CNR2NR3C1PGRKCNH2SCN9A
SCHEMBL5121830 0.84 CHRNA1 (0.43) KCNH2PIM1CYP11B1CYP11B2
SCHEMBL5121246 0.83 CHRNB2 (0.47) KDM2BKCNH2PIM1CYP11B2
SCHEMBL5115749 0.81 CHRNB2 (0.46) KCNH2
SCHEMBL5110299 0.81 CYP11B1 (0.43) KCNH2CYP2D6CYP11B1CYP11B2

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 CNR2 42/4885NR3C1 149/4885PGR 2057/4885

“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.