SCHEMBL4828306

SCHEMBL4828306

CN1CCCCC1C(N)c1ccsc1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
SLC6A3 Q01959 1/20 0.38
CHRNB4 P30926 7/20 0.36
CHRNA3 P32297 7/20 0.36
CHRNB2 P17787 3/20 0.33
CHRNA4 P43681 3/20 0.33
CHRNA7 P36544 2/20 0.33
CCR5 P51681 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
SCHEMBL4831199 0.85 SLC6A2 (0.38) SLC6A2SLC6A4SLC6A3CHRNB4CHRNA3
SCHEMBL3962571 0.80 LMNA (0.37)
SCHEMBL1795653 0.78 CHRNB4 (0.50) SLC6A2SLC6A4SLC6A3CHRNB4CHRNA3
SCHEMBL1794388 0.78 CHRNB4 (0.50) SLC6A2SLC6A4SLC6A3CHRNB4CHRNA3
SCHEMBL1797151 0.78 CHRNB4 (0.50) SLC6A2SLC6A4SLC6A3CHRNB4CHRNA3
SCHEMBL1797148 0.78 CHRNB4 (0.50) SLC6A2SLC6A4SLC6A3CHRNB4CHRNA3
SCHEMBL1795410 0.78 CHRNB4 (0.50) SLC6A2SLC6A4SLC6A3CHRNB4CHRNA3
SCHEMBL13403267 0.77 CHRNB4 (0.49) SLC6A2SLC6A4SLC6A3CHRNB4CHRNA3
SCHEMBL4781846 0.74 DPP4 (0.44) SLC6A2SLC6A4SLC6A3CHRNB4CHRNA3
SCHEMBL14873238 0.74 IDO1 (0.36)

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-7335670-B2 Derivatives of N-[heteroaryl(piperidine-2-yl) methyl]benzamide, preparation method thereof and application of same in therapeutics SANOFI-AVENTIS (FR) 2008-02-26 US disclosed
US-20060223886-A1 Derivatives of N-[heteroaryl(piperidine-2-yl) methyl]benzamide, preparation method thereof and application of same in therapeutics SANOFI-AVENTIS (FR) 2006-10-05 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-20060223886-A1 Derivatives of N-[heteroaryl(piperidine-2-yl) methyl]benzamide, preparation method thereof and application of same in therapeutics GABRE, SNCA, CHRNA5 SLC6A2 936/4885SLC6A4 2062/4885SLC6A3 737/4885

“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.