SCHEMBL1554493

SCHEMBL1554493

Cc1ccc2c(C(=O)N3CCN4CCC3C4)n[nH]c2n1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 4/20 0.36
HTR3A P46098 2/20 0.36
UGCG Q16739 5/20 0.36
CHRM4 P08173 1/20 0.34
CHRM5 P08912 1/20 0.34
CHRM1 P11229 1/20 0.34
CHRM3 P20309 1/20 0.34
CHRNB4 P30926 1/20 0.34
CHRNA3 P32297 1/20 0.34
KCNH2 Q12809 1/20 0.34
ALDH1A1 P00352 1/20 0.34
EIF4A3 P38919 1/20 0.32
ADORA2A P29274 1/20 0.32
PDK2 Q15119 1/20 0.32
PDK4 Q16654 1/20 0.32

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
Hydrochloric Acid SCHEMBL3854883 0.99 CHRNA7 (0.36) CHRNA7HTR3AUGCGCHRM4CHRM5
Bromide SCHEMBL3857745 0.99 CHRNA7 (0.36) CHRNA7HTR3AUGCGCHRM4CHRM5
SCHEMBL3855798 0.82 CHRNA7 (0.40) CHRNA7HTR3AALDH1A1EIF4A3
SCHEMBL3864878 0.80 MAPT (0.42) CHRNA7HTR3AUGCGALDH1A1EIF4A3
SCHEMBL1636658 0.80 CHRNA7 (0.41) CHRNA7HTR3AUGCGCHRNA3
Oxalic Acid SCHEMBL3862433 0.79 CHRNA7 (0.38) CHRNA7HTR3AALDH1A1EIF4A3
Bromide SCHEMBL3862357 0.79 MAPT (0.41) CHRNA7HTR3AUGCGALDH1A1EIF4A3
SCHEMBL1553493 0.78 CHRNA7 (0.56) CHRNA7HTR3AALDH1A1EIF4A3
Hydrochloric Acid SCHEMBL3855621 0.77 CHRNA7 (0.55) CHRNA7HTR3AALDH1A1EIF4A3
SCHEMBL1635335 0.76 GSK3B (0.50) CHRNA7HTR3ACHRNA3

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-7589201-B2 Derivatives of 1,4-diazabicyclo[3.2.1]octanecarboxamide, preparation method thereof and use of same in therapeutics SANOFI-AVENTIS (FR) 2009-09-15 US claimed
US-20070155749-A1 DERIVATIVES OF 1,4-DIAZABICYCLO[3.2.1]OCTANECARBOXAMIDE, PREPARATION METHOD THEREOF AND USE OF SAME IN THERAPEUTICS SANOFI-AVENTIS (FR) 2007-07-05 US claimed
EP-1709052-B1 DERIVATIVES OF 1,4-DIAZABICYCLO 3.2.1OCTANECARBOXAMIDE, PREPARATION METHOD THEREOF AND USE OF SAME IN THERAPEUTICS SANOFI AVENTIS (FR) 2011-04-27 EP 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-20070155749-A1 DERIVATIVES OF 1,4-DIAZABICYCLO[3.2.1]OCTANECARBOXAMIDE, PREPARATION METHOD THEREOF AND USE OF SAME IN THERAPEUTICS CNR1, CNR2, NPY1R CHRNA7 1666/4885HTR3A 2836/4885UGCG 1072/4885

“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.