SCHEMBL5383083

SCHEMBL5383083

N[C@@H]1C[C@H](N)CN(c2nc(Nc3ccc(NC(=O)c4ccc(Cl)cc4O)c(Cl)c3)nc(N3C[C@H](N)C[C@H](N)C3)n2)C1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 8/20 0.42
PNLIP P16233 2/20 0.41
KLKB1 P03952 1/20 0.40
PLAU P00749 2/20 0.39
TSHR P16473 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
F2 P00734 1/20 0.39
F10 P00742 1/20 0.39
PLG P00747 1/20 0.39
PLAT P00750 1/20 0.39
CA12 O43570 3/20 0.38
CA1 P00915 3/20 0.38
CA2 P00918 3/20 0.38
CA9 Q16790 3/20 0.38
IRAK4 Q9NWZ3 1/20 0.38
KDM4E B2RXH2 1/20 0.37
NPC1 O15118 1/20 0.37
ALDH1A1 P00352 1/20 0.37
RAB9A P51151 1/20 0.37

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
SCHEMBL5382726 0.96 SCN9A (0.42) SCN9APNLIPKLKB1PLAUTSHR
SCHEMBL14503827 0.94 SCN9A (0.41) SCN9APNLIPKLKB1PLAUTSHR
SCHEMBL5375652 0.94 SCN9A (0.41) SCN9APNLIPKLKB1PLAUTSHR
SCHEMBL5383878 0.92 SCN9A (0.42) SCN9AKLKB1PLAUTSHRSMN1; SMN2
SCHEMBL5380725 0.92 SCN9A (0.43) SCN9APNLIPKLKB1PLAUTSHR
SCHEMBL5391334 0.91 GRM4 (0.42) SCN9APNLIPTSHRSMN1; SMN2CA12
SCHEMBL5388912 0.91 SCN9A (0.41) SCN9AKLKB1PLAUSMN1; SMN2F2
SCHEMBL5383640 0.91 SCN9A (0.40) SCN9APNLIPKLKB1PLAUTSHR
SCHEMBL5383230 0.90 SCN9A (0.43) SCN9AKLKB1SMN1; SMN2CA12CA1
SCHEMBL5382253 0.90 KLKB1 (0.48) SCN9APNLIPKLKB1PLAUTSHR

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 7 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 claimed
US-20050239827-A1 Antibacterial 3,5-diaminopiperidine-substituted aromatic and heteroaromatic compouds ANADYS PHARMACEUTICALS, INC. 2005-10-27 US claimed
US-20070197533-A1 Antibacterial 3,5-diaminopiperidine-substituted aromatic and heteroaromatic compounds ANADYS PHARMACEUTICALS, INC. (US) 2007-08-23 US disclosed
US-20070197533-A1 Antibacterial 3,5-diaminopiperidine-substituted aromatic and heteroaromatic compounds ANADYS PHARMACEUTICALS, INC. (US) 2007-08-23 US disclosed
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 4552/4885PNLIP 3733/4885KLKB1 4506/4885
US-20050239827-A1 Antibacterial 3,5-diaminopiperidine-substituted aromatic and heteroaromatic compouds AMPD3, AAAS, PEPD SCN9A 4783/4885PNLIP 4095/4885KLKB1 3825/4885

“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.