SCHEMBL493477

SCHEMBL493477

N#CC(c1ccccc1)C1CCC(N)CC1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHRNB4 P30926 1/20 0.46
CHRNA3 P32297 1/20 0.46
IDO1 P14902 4/20 0.42
SLC6A3 Q01959 2/20 0.41
TRPA1 O75762 1/20 0.38
TSHR P16473 1/20 0.38
KDM1A O60341 5/20 0.33
MAOB P27338 3/20 0.33
MAOA P21397 2/20 0.33
KDM1B Q8NB78 1/20 0.33
RCOR1 Q9UKL0 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 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
SCHEMBL7355279 0.91 CHRNB4 (0.53) CHRNB4CHRNA3IDO1SLC6A3TRPA1
SCHEMBL961750 0.83 SLC6A3 (0.53) CHRNB4CHRNA3IDO1SLC6A3TRPA1
SCHEMBL961019 0.83 SLC6A3 (0.57) CHRNB4CHRNA3IDO1SLC6A3TRPA1
SCHEMBL959762 0.81 SLC6A3 (0.58) CHRNB4CHRNA3IDO1SLC6A3TRPA1
SCHEMBL13124077 0.81 SLC6A3 (0.58) CHRNB4CHRNA3IDO1SLC6A3TRPA1
SCHEMBL8191324 0.79 CHRNB4 (0.46) CHRNB4CHRNA3SLC6A3
Hydrochloric Acid SCHEMBL2586181 0.77 CHRNB4 (0.45) CHRNB4CHRNA3SLC6A3
SCHEMBL14415621 0.75 IDO1 (0.48) CHRNB4CHRNA3IDO1
SCHEMBL17892330 0.74 SLC6A3 (0.55) CHRNB4CHRNA3IDO1SLC6A3MEN1
SCHEMBL8437518 0.73 CHRNB4 (0.49) CHRNB4CHRNA3TSHRMEN1KMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8106055-B2 Substituted amide compounds GRUENENTHAL GMBH (DE) 2012-01-31 US disclosed
US-20080306084-A1 Substituted Amide Compounds GRUENENTHAL GMBH (DE) 2008-12-11 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-20080306084-A1 Substituted Amide Compounds OPRK1, NAA50, ACMSD CHRNB4 4413/4885CHRNA3 3843/4885IDO1 3425/4885

“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.