SCHEMBL5116964

SCHEMBL5116964

c1ncc(N2CCN3CC2C3)cn1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 3/20 0.44
CHRNB4 P30926 3/20 0.44
CHRNA3 P32297 3/20 0.44
CHRNA4 P43681 3/20 0.44
GSK3B P49841 1/20 0.31
DPP4 P27487 1/20 0.31
DPP8 Q6V1X1 1/20 0.31
DPP9 Q86TI2 1/20 0.31
DPP7 Q9UHL4 1/20 0.31
MMP2 P08253 1/20 0.30

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
SCHEMBL5109993 0.87 CHRNB2 (0.44) CHRNB2CHRNB4CHRNA3CHRNA4
Hydrochloric Acid SCHEMBL5112807 0.85 CHRNB2 (0.43) CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL5112137 0.84 CHRNB2 (0.42) CHRNB2CHRNB4CHRNA3CHRNA4DPP4
SCHEMBL5122493 0.79 CHRNB2 (0.41) CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL5109547 0.78 CHRNB2 (0.53) CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL5112611 0.77 CHRNA7 (0.40) CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL5111997 0.77 CHRNB2 (0.54) CHRNB2CHRNB4CHRNA3CHRNA4MMP2
SCHEMBL5107879 0.77 CHRNB2 (0.54) CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL5111231 0.76 MAPT (0.46)
SCHEMBL5109246 0.73 CHRNB2 (0.57) CHRNB2CHRNB4CHRNA3CHRNA4

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 CHRNB2 10/4885CHRNB4 11/4885CHRNA3 14/4885

“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.