SCHEMBL5114036

SCHEMBL5114036

FC(F)(F)c1ccccc1-c1cncc(N2CCN3CC2C3)c1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 1/20 0.38
PGR P06401 1/20 0.38
SCN9A Q15858 2/20 0.38
TRPA1 O75762 3/20 0.37
TRPM8 Q7Z2W7 1/20 0.36
CYP11B1 P15538 1/20 0.35
CYP11B2 P19099 1/20 0.35
CYP1A2 P05177 3/20 0.35
CYP2C19 P33261 3/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
ALOX5AP P20292 1/20 0.35
FEN1 P39748 1/20 0.35
CNR2 P34972 2/20 0.35
SCN10A Q9Y5Y9 1/20 0.34
CHRNB4 P30926 1/20 0.34
CHRNA3 P32297 1/20 0.34
KMT2A Q03164 1/20 0.34
NPY5R Q15761 1/20 0.34

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
SCHEMBL5116020 0.92 NR3C1 (0.36) NR3C1PGRSCN9ATRPA1TRPM8
Hydrochloric Acid SCHEMBL5111534 0.91 NR3C1 (0.36) NR3C1PGRSCN9ATRPA1TRPM8
SCHEMBL5110542 0.90 CNR2 (0.39) NR3C1PGRSCN9ATRPA1TRPM8
SCHEMBL5116003 0.87 CNR2 (0.38) NR3C1PGRSCN9ATRPA1TRPM8
SCHEMBL5108586 0.85 KCNH2 (0.39) NR3C1PGRSCN9ATRPA1CNR2
SCHEMBL5116116 0.85 CYP11B1 (0.42) CYP11B1CYP11B2CHRNB4CHRNA3
SCHEMBL5115668 0.81 CHRNB4 (0.42) NR3C1PGRCYP11B2CHRNB4CHRNA3
SCHEMBL5115247 0.80 CYP11B1 (0.45) CYP11B1CYP11B2CYP1A2CYP2C19CYP3A4
SCHEMBL5123104 0.79 CHRNB4 (0.52) CYP11B1CYP11B2CHRNB4CHRNA3
SCHEMBL5115900 0.79 CHRNB4 (0.42) CYP11B1CYP11B2CYP1A2CHRNB4CHRNA3

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 NR3C1 149/4885PGR 2057/4885SCN9A 2233/4885

“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.