SCHEMBL5433955

SCHEMBL5433955

NC1CC(N)CN(c2nc(Nc3ccc(NC(=O)c4cc(Cl)cnc4O)c(Cl)c3)nc(N3CC(N)CC(N)C3)n2)C1

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 12/20 0.42
TSHR P16473 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CAMK1D Q8IU85 1/20 0.37
IRAK4 Q9NWZ3 1/20 0.37
PIM2 Q9P1W9 1/20 0.36
SYK P43405 2/20 0.36
F10 P00742 1/20 0.36

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
SCHEMBL5433935 1.00 SCN9A (0.42) SCN9ATSHRSMN1; SMN2CAMK1DIRAK4
SCHEMBL5387001 0.93 SCN9A (0.41) SCN9ATSHRSMN1; SMN2CAMK1DIRAK4
SCHEMBL5382834 0.90 SCN9A (0.41) SCN9ATSHRSMN1; SMN2CAMK1DIRAK4
SCHEMBL5386309 0.88 GRM4 (0.43) SCN9ATSHRSMN1; SMN2IRAK4
SCHEMBL5383083 0.86 SCN9A (0.42) SCN9ATSHRSMN1; SMN2IRAK4F10
SCHEMBL14504020 0.86 CA12 (0.47) TSHRSMN1; SMN2F10
SCHEMBL5376145 0.84 SCN9A (0.39) SCN9ATSHRSMN1; SMN2CAMK1DIRAK4
SCHEMBL5450780 0.84 SCN9A (0.39) SCN9ATSHRSMN1; SMN2CAMK1DIRAK4
SCHEMBL5382726 0.84 SCN9A (0.42) SCN9ATSHRSMN1; SMN2IRAK4F10
SCHEMBL5392570 0.84 CA12 (0.37) SCN9ATSHRSMN1; SMN2

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-20070197533-A1 Antibacterial 3,5-diaminopiperidine-substituted aromatic and heteroaromatic compounds ANADYS PHARMACEUTICALS, INC. (US) 2007-08-23 US disclosed
US-7223759-B2 Antibacterial 3,5-diaminopiperidine-substituted aromatic and heteroaromatic compounds ANADYS PHARMACEUTICALS, INC. (US) 2007-05-29 US disclosed
US-20050239827-A1 Antibacterial 3,5-diaminopiperidine-substituted aromatic and heteroaromatic compouds ANADYS PHARMACEUTICALS, INC. 2005-10-27 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 (2 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-20070197533-A1 Antibacterial 3,5-diaminopiperidine-substituted aromatic and heteroaromatic compounds DDC, DPP3, AMPD3 SCN9A 4552/4885TSHR 4325/4885SMN1; SMN2 3797/4885
US-20050239827-A1 Antibacterial 3,5-diaminopiperidine-substituted aromatic and heteroaromatic compouds AMPD3, AAAS, PEPD SCN9A 4783/4885TSHR 3906/4885SMN1; SMN2 4041/4885

“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.