SCHEMBL5111997

SCHEMBL5111997

Clc1cncc(N2CCN3CC2C3)c1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 9/20 0.54
CHRNA4 P43681 9/20 0.54
CHRNB4 P30926 5/20 0.54
CHRNA3 P32297 5/20 0.54
CHRNA7 P36544 2/20 0.42
CHRNA1 P02708 1/20 0.42
ADAMTS5 Q9UNA0 5/20 0.36
MMP2 P08253 3/20 0.36
MMP14 P50281 1/20 0.35
KCNH2 Q12809 2/20 0.35
HTR3A P46098 1/20 0.35
HCAR2 Q8TDS4 1/20 0.33

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
SCHEMBL5114518 0.89 CHRNB2 (0.50) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
Hydrochloric Acid SCHEMBL5110444 0.88 CHRNB2 (0.49) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL5112706 0.86 CHRNB2 (0.48) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL5114322 0.83 CHRNB2 (0.47) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL5109218 0.82 CHRNB4 (0.42) CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL5111871 0.80 KCNH2 (0.45) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL5107879 0.80 CHRNB2 (0.54) CHRNB2CHRNA4CHRNB4CHRNA3KCNH2
SCHEMBL5123133 0.79 CHRNB4 (0.39) CHRNB2CHRNA4CHRNB4CHRNA3ADAMTS5
SCHEMBL5110941 0.78 CHRNB2 (0.43) CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL5116964 0.77 CHRNB2 (0.44) CHRNB2CHRNA4CHRNB4CHRNA3MMP2

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 10/4885CHRNA4 5/4885CHRNB4 11/4885

“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.