SCHEMBL5113103

SCHEMBL5113103

Cc1ccc(N2CCN3CCCC2C3)cn1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 3/20 0.47
CHRNA4 P43681 3/20 0.47
CHRNB4 P30926 2/20 0.37
CHRNA3 P32297 2/20 0.37
CHRNB1 P11230 1/20 0.37
CHRNB3 Q05901 1/20 0.37
CHRNA7 P36544 3/20 0.36
PDE4B Q07343 1/20 0.35
SLC6A9 P48067 2/20 0.34
KCNH2 Q12809 2/20 0.33
CHRM4 P08173 1/20 0.33
CHRM5 P08912 1/20 0.33
CHRM1 P11229 1/20 0.33
CHRM3 P20309 1/20 0.33
HTR3A P46098 1/20 0.33
MCHR1 Q99705 1/20 0.33
ALDH1A1 P00352 1/20 0.33
DRD3 P35462 1/20 0.33
ELANE P08246 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
SCHEMBL5109076 0.91 CHRNB2 (0.46) CHRNB2CHRNA4CHRNB4CHRNA3CHRNB1
SCHEMBL5112121 0.91 CHRNB2 (0.49) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
Hydrochloric Acid SCHEMBL5115262 0.90 CHRNB2 (0.48) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL5121880 0.89 CHRNA7 (0.47) CHRNB2CHRNA4CHRNB4CHRNA3CHRNB1
SCHEMBL5123304 0.86 CHRNB2 (0.52) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL22171115 0.82 CHRNA7 (0.51) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL5111574 0.78 CHRNB2 (0.49) CHRNB2CHRNA4CHRNB4CHRNA3CHRNB1
SCHEMBL5112137 0.74 CHRNB2 (0.42) CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL5112649 0.74 MAPT (0.40) CHRNA7ALDH1A1
SCHEMBL12697214 0.74 CHRNB2 (0.46) CHRNB2CHRNA4CHRNB4CHRNA3CHRNB1

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.