SCHEMBL6836268

SCHEMBL6836268

FC(F)(F)c1cncc(N2CCN3CC2C3)c1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.43
NR1H3 Q13133 1/20 0.43
CYP11B2 P19099 5/20 0.38
CYP11B1 P15538 3/20 0.38
ACACB O00763 1/20 0.35
CHRNB4 P30926 3/20 0.34
CHRNA3 P32297 3/20 0.34
LCAT P04180 2/20 0.33
MAP3K12 Q12852 1/20 0.33
SCN2B O60939 1/20 0.33
SCN1A P35498 1/20 0.33
SCN1B Q07699 1/20 0.33
SCN5A Q14524 1/20 0.33
SCN9A Q15858 1/20 0.33
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
HTR2B P41595 1/20 0.32
CHRNB2 P17787 3/20 0.32
CHRNA4 P43681 3/20 0.32

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
SCHEMBL5109564 0.90 NR1H2 (0.41) NR1H2NR1H3CYP11B2CYP11B1ACACB
Hydrochloric Acid SCHEMBL5123566 0.89 NR1H2 (0.41) NR1H2NR1H3CYP11B2CYP11B1ACACB
SCHEMBL5108498 0.88 NR1H2 (0.40) NR1H2NR1H3CYP11B2CYP11B1ACACB
SCHEMBL5107911 0.84 NR1H2 (0.39) NR1H2NR1H3CYP11B2CYP11B1CHRNB4
SCHEMBL5115900 0.84 CHRNB4 (0.42) NR1H2NR1H3CYP11B2CYP11B1CHRNB4
SCHEMBL5107359 0.82 NR1H2 (0.38) NR1H2NR1H3CYP11B2CYP11B1CHRNB4
SCHEMBL5120701 0.81 CYP11B2 (0.45) CYP11B2CYP11B1CHRNB4CHRNA3HTR2A
SCHEMBL5107879 0.76 CHRNB2 (0.54) CHRNB4CHRNA3CHRNB2CHRNA4
SCHEMBL5114036 0.75 NR3C1 (0.38) CYP11B2CYP11B1CHRNB4CHRNA3SCN9A
Hydrochloric Acid SCHEMBL5111544 0.74 CHRNB4 (0.41) CYP11B2CYP11B1CHRNB4CHRNA3CHRNB2

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 1 patent. 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

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 NR1H2 513/4885NR1H3 631/4885CYP11B2 403/4885

“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.