SCHEMBL5455697

SCHEMBL5455697

N[C@@H]1C[C@H](N)CN(c2nc(NC3CCCCC3)nc(N3C[C@H](N)C[C@H](N)C3)n2)C1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
NPSR1 Q6W5P4 2/20 0.49
CTSL P07711 1/20 0.45
CTSB P07858 1/20 0.45
CTSS P25774 1/20 0.45
CTSK P43235 1/20 0.45
ATM Q13315 1/20 0.41
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
MAPK1 P28482 1/20 0.40
BLM P54132 1/20 0.40
KMT2A Q03164 1/20 0.40
LMNA P02545 1/20 0.40
HPGD P15428 1/20 0.40
ROCK1 Q13464 1/20 0.40
PDE4A P27815 1/20 0.40
HRH4 Q9H3N8 4/20 0.39
KDM4E B2RXH2 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
SCHEMBL5458339 1.00 HTT (0.49) HTTSMN1; SMN2NPSR1CTSLCTSB
SCHEMBL5382801 1.00 HTT (0.49) HTTSMN1; SMN2NPSR1CTSLCTSB
SCHEMBL14440887 0.92 HTT (0.49) HTTSMN1; SMN2NPSR1CTSLCTSB
SCHEMBL5430492 0.85 CTSL (0.43) HTTSMN1; SMN2NPSR1CTSLCTSB
SCHEMBL5391787 0.83 CTSL (0.40) HTTSMN1; SMN2NPSR1CTSLCTSB
SCHEMBL5387525 0.81 HRH4 (0.38) HTTSMN1; SMN2NPSR1CTSLCTSB
SCHEMBL5385079 0.80 IDH2 (0.37) HTTSMN1; SMN2NPSR1CTSLCTSB
SCHEMBL5385088 0.80 IDH2 (0.37) HTTSMN1; SMN2NPSR1CTSLCTSB
SCHEMBL14504177 0.78 SMN1; SMN2 (0.72) HTTSMN1; SMN2NPSR1CTSLCTSB
SCHEMBL14504419 0.78 SMN1; SMN2 (0.72) HTTSMN1; SMN2NPSR1CTSLCTSB

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-20070197533-A1 Antibacterial 3,5-diaminopiperidine-substituted aromatic and heteroaromatic compounds ANADYS PHARMACEUTICALS, INC. (US) 2007-08-23 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 HTT 949/4885SMN1; SMN2 3797/4885NPSR1 3969/4885
US-20050239827-A1 Antibacterial 3,5-diaminopiperidine-substituted aromatic and heteroaromatic compouds AMPD3, AAAS, PEPD HTT 516/4885SMN1; SMN2 4041/4885NPSR1 2974/4885

“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.