SCHEMBL5396993

SCHEMBL5396993

N[C@@H]1C[C@H](N)CN(c2nc(Nc3ccc(NC(=O)c4ccc(Cl)cc4)c(O)c3)nc(N3C[C@H](O)C[C@@H](O)C3)n2)C1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 12/20 0.40
CAMK1D Q8IU85 2/20 0.38
CA12 O43570 2/20 0.37
CA1 P00915 2/20 0.37
CA2 P00918 2/20 0.37
CA9 Q16790 2/20 0.37
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
MAPT P10636 2/20 0.37
LMNA P02545 1/20 0.37
MAPK1 P28482 1/20 0.37
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NPC1 O15118 1/20 0.37
TP53 P04637 1/20 0.37
RAB9A P51151 1/20 0.37
CHRNB4 P30926 1/20 0.36
CHRNA3 P32297 1/20 0.36
GAA P10253 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
SCHEMBL14428608 1.00 SCN9A (0.40) SCN9ACAMK1DCA12CA1CA2
SCHEMBL5382196 0.98 SCN9A (0.40) SCN9ACAMK1DCA12CA1CA2
SCHEMBL5375890 0.95 SCN9A (0.43) SCN9ACA12CA1CA2CA9
SCHEMBL5381013 0.95 SCN9A (0.42) SCN9ACA12CA1CA2CA9
SCHEMBL5381910 0.94 SCN9A (0.41) SCN9ACA12CA1CA2CA9
SCHEMBL5433131 0.93 SCN9A (0.41) SCN9ACA12CA1CA2CA9
SCHEMBL5391100 0.92 CAMK1D (0.39) SCN9ACAMK1DMEN1KMT2AMAPT
SCHEMBL14428604 0.92 CAMK1D (0.39) SCN9ACAMK1DMEN1KMT2AMAPT
SCHEMBL5391886 0.92 IDH2 (0.43) SCN9ACA12CA1CA2CA9
SCHEMBL5391854 0.92 IDH2 (0.43) SCN9ACA12CA1CA2CA9

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-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 (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-20050239827-A1 Antibacterial 3,5-diaminopiperidine-substituted aromatic and heteroaromatic compouds AMPD3, AAAS, PEPD SCN9A 4783/4885CAMK1D 4367/4885CA12 4536/4885

“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.