SCHEMBL5383801

SCHEMBL5383801

CCN(CC)c1ccc(Nc2nc(N3C[C@H](N)C[C@H](N)C3)nc(N3C[C@H](N)C[C@H](N)C3)n2)c(C)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.39
PSEN1 P49768 1/20 0.38
PSEN2 P49810 1/20 0.38
APH1B Q8WW43 1/20 0.38
NCSTN Q92542 1/20 0.38
APH1A Q96BI3 1/20 0.38
PSENEN Q9NZ42 1/20 0.38
S100B P04271 1/20 0.37
POLB P06746 4/20 0.37
RPS6KA2 Q15349 1/20 0.37
HTT P42858 3/20 0.36
MAPK1 P28482 3/20 0.36
HCRTR1 O43613 1/20 0.36
NPSR1 Q6W5P4 2/20 0.35
GFER P55789 4/20 0.35
CYP2C19 P33261 2/20 0.35
ALDH1A1 P00352 1/20 0.35
ALOX15 P16050 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
LMNA P02545 2/20 0.34

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
SCHEMBL5375715 0.83 LMNA (0.44) MAPTHTTNPSR1GFERCYP2C19
SCHEMBL5383967 0.83 RAB9A (0.47) MAPTHTTMAPK1NPSR1CYP2C19
SCHEMBL14504320 0.82 GAA (0.48) MAPTPOLBHTTMAPK1NPSR1
SCHEMBL5391270 0.81 MAPT (0.39) MAPTHTTMAPK1NPSR1CYP2C19
SCHEMBL5380654 0.76 GAA (0.58) MAPTPOLBHTTMAPK1NPSR1
SCHEMBL5378439 0.75 SMN1; SMN2 (0.38) MAPTHTTNPSR1GFERCYP2C19
SCHEMBL5391020 0.72 LMNA (0.37) MAPTNPSR1CYP2C19ALDH1A1L3MBTL1
SCHEMBL5383222 0.72 HRH3 (0.42) MAPTHTTMAPK1HCRTR1NPSR1
SCHEMBL5380895 0.71 TSHR (0.34) MAPTPOLBNPSR1ALDH1A1ALOX15
SCHEMBL5400330 0.70 POLB (0.60) MAPTPOLBNPSR1ALDH1A1LMNA

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 MAPT 2536/4885PSEN1 3424/4885PSEN2 3518/4885
US-20050239827-A1 Antibacterial 3,5-diaminopiperidine-substituted aromatic and heteroaromatic compouds AMPD3, AAAS, PEPD MAPT 2630/4885PSEN1 2861/4885PSEN2 3292/4885

“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.