SCHEMBL5116744

SCHEMBL5116744

Fc1ccccc1-c1cncc(N2CCN3CCCC2C3)c1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 8/20 0.42
CYP11B1 P15538 2/20 0.39
CYP11B2 P19099 2/20 0.39
PIM3 Q86V86 1/20 0.35
PIM2 Q9P1W9 1/20 0.35
CHRNB2 P17787 2/20 0.35
CHRNA6 Q15825 1/20 0.35
IL4I1 Q96RQ9 1/20 0.35
CHRNB4 P30926 2/20 0.34
CHRNA3 P32297 2/20 0.34
CHRNA7 P36544 1/20 0.34
CHRNA1 P02708 1/20 0.34
CHRNA4 P43681 1/20 0.34
HTR3A P46098 1/20 0.34
MAPT P10636 1/20 0.34
GSK3B P49841 1/20 0.34
ALOX5AP P20292 1/20 0.34
FEN1 P39748 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 0.93 PIM1 (0.40) PIM1CYP11B1CYP11B2CHRNB2CHRNB4
SCHEMBL5120729 0.93 PIM1 (0.41) PIM1CYP11B1CYP11B2CHRNB2CHRNA6
Hydrochloric Acid SCHEMBL5112800 0.92 PIM1 (0.39) PIM1CYP11B1CYP11B2CHRNB2CHRNB4
SCHEMBL5121830 0.91 CHRNA1 (0.43) PIM1CYP11B1CYP11B2CHRNB2IL4I1
SCHEMBL5116116 0.89 CYP11B1 (0.42) PIM1CYP11B1CYP11B2CHRNB2CHRNB4
SCHEMBL5110290 0.87 CHRNB4 (0.46) PIM1CYP11B2CHRNB2CHRNA6CHRNB4
SCHEMBL5110542 0.87 CNR2 (0.39) PIM1
SCHEMBL5110318 0.85 CHRNB4 (0.47) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL5108155 0.85 CYP11B1 (0.41) CYP11B1CYP11B2CHRNB2CHRNB4CHRNA3
SCHEMBL5108520 0.84 CHRNB4 (0.50) CYP11B1CYP11B2CHRNB2CHRNB4CHRNA3

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 PIM1 3802/4885CYP11B1 273/4885CYP11B2 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.