SCHEMBL5378123

SCHEMBL5378123

N[C@@H]1C[C@H](N)CN(c2nc(NCc3cccc4ccccc34)nc(N3C[C@H](N)C[C@H](N)C3)n2)C1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ACHE P22303 12/20 0.46
PIK3CA P42336 1/20 0.41
PIK3CB P42338 1/20 0.41
HTT P42858 1/20 0.40
SOS1 Q07889 1/20 0.40
ESR1 P03372 1/20 0.40
MEN1 O00255 1/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL5392983 0.84 MAPK1 (0.43) HTTLMNA
SCHEMBL5384998 0.84 HTT (0.41) ACHEPIK3CAPIK3CBHTTMEN1
SCHEMBL5427702 0.84 HTT (0.41) HTTMEN1LMNAKMT2A
SCHEMBL5376405 0.81 PTPN11 (0.41) PIK3CAPIK3CBHTT
SCHEMBL5401209 0.81 GAA (0.47) HTTLMNAMAPT
SCHEMBL5383140 0.80 P2RX7 (0.39) HTT
SCHEMBL14503262 0.79 ACHE (0.65) ACHEHTTMEN1LMNAKMT2A
SCHEMBL5382284 0.78 CYP2D6 (0.44) ACHEPIK3CBHTTMEN1LMNA
SCHEMBL5380660 0.76 HTT (0.53) HTTESR1MEN1LMNAKMT2A
SCHEMBL5391436 0.76 HTT (0.44) HTTLMNA

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-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-7223759-B2 Antibacterial 3,5-diaminopiperidine-substituted aromatic and heteroaromatic compounds ANADYS PHARMACEUTICALS, INC. (US) 2007-05-29 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 ACHE 3125/4885PIK3CA 1624/4885PIK3CB 2202/4885
US-20050239827-A1 Antibacterial 3,5-diaminopiperidine-substituted aromatic and heteroaromatic compouds AMPD3, AAAS, PEPD ACHE 3665/4885PIK3CA 1554/4885PIK3CB 2112/4885

“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.