SCHEMBL5116116

SCHEMBL5116116

Fc1ccccc1-c1cncc(N2CCN3CC2C3)c1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 2/20 0.42
CYP11B2 P19099 2/20 0.42
PIM1 P11309 7/20 0.40
CHRNB4 P30926 3/20 0.38
CHRNA3 P32297 3/20 0.38
KCNH2 Q12809 2/20 0.36
CHRNA7 P36544 1/20 0.35
CHRNA1 P02708 1/20 0.35
CHRNB2 P17787 1/20 0.35
CHRNA4 P43681 1/20 0.35
HTR3A P46098 1/20 0.35
MAPT P10636 1/20 0.35
GSK3B P49841 1/20 0.35
GRIN2B Q13224 2/20 0.34
GRIN1 Q05586 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
SCHEMBL5110062 0.91 PIM1 (0.40) CYP11B1CYP11B2PIM1CHRNB4CHRNA3
Hydrochloric Acid SCHEMBL5112800 0.90 PIM1 (0.39) CYP11B1CYP11B2PIM1CHRNB4CHRNA3
SCHEMBL5116744 0.89 PIM1 (0.42) CYP11B1CYP11B2PIM1CHRNB4CHRNA3
SCHEMBL5120729 0.86 PIM1 (0.41) CYP11B1CYP11B2PIM1CHRNB4CHRNA3
SCHEMBL5115668 0.86 CHRNB4 (0.42) CYP11B2CHRNB4CHRNA3KCNH2CHRNB2
SCHEMBL5114036 0.85 NR3C1 (0.38) CYP11B1CYP11B2CHRNB4CHRNA3
SCHEMBL5121830 0.84 CHRNA1 (0.43) CYP11B1CYP11B2PIM1CHRNB4CHRNA3
SCHEMBL5115247 0.84 CYP11B1 (0.45) CYP11B1CYP11B2CHRNB4CHRNA3CHRNB2
SCHEMBL5123104 0.83 CHRNB4 (0.52) CYP11B1CYP11B2CHRNB4CHRNA3CHRNA7
SCHEMBL5108370 0.82 CHRNB4 (0.56) CYP11B1CYP11B2CHRNB4CHRNA3CHRNA7

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 CYP11B1 273/4885CYP11B2 403/4885PIM1 3802/4885

“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.