SCHEMBL5386403

SCHEMBL5386403

N[C@@H]1C[C@H](N)CN(c2nc(Nc3ccc(NC(=O)c4cc(OC(F)(F)F)ccc4O)cc3)nc(N3C[C@H](N)C[C@H](N)C3)n2)C1

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 7/20 0.46
ABL1 P00519 8/20 0.44
MAPT P10636 1/20 0.42
P2RX1 P51575 1/20 0.41
TP53 P04637 1/20 0.39
CTSS P25774 1/20 0.39
CTSK P43235 1/20 0.39

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
SCHEMBL5381116 0.92 SCN9A (0.44) SCN9AABL1MAPTP2RX1
SCHEMBL5376114 0.89 PLAU (0.50) SCN9AMAPTP2RX1
SCHEMBL5382713 0.87 P2RX1 (0.46) SCN9AP2RX1CTSSCTSK
SCHEMBL5396786 0.86 P2RX1 (0.43) SCN9AMAPTP2RX1
SCHEMBL14504821 0.85 MAPT (0.56) ABL1MAPTTP53CTSSCTSK
SCHEMBL5400638 0.84 P2RX1 (0.55) SCN9AP2RX1
SCHEMBL5396728 0.84 PLAU (0.47) SCN9AMAPTP2RX1TP53
SCHEMBL5376176 0.84 PLAU (0.47) SCN9AMAPTP2RX1
SCHEMBL14504657 0.84 P2RX1 (0.55) SCN9AP2RX1
SCHEMBL5400612 0.83 CTSS (0.52) SCN9ACTSSCTSK

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 5 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-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 4552/4885ABL1 155/4885MAPT 2536/4885
US-20050239827-A1 Antibacterial 3,5-diaminopiperidine-substituted aromatic and heteroaromatic compouds AMPD3, AAAS, PEPD SCN9A 4783/4885ABL1 206/4885MAPT 2630/4885

“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.