SCHEMBL5380743

SCHEMBL5380743

N[C@@H]1C[C@H](N)CN(c2nc(Nc3nccc4ccccc34)nc(N3C[C@H](N)C[C@H](N)C3)n2)C1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 1/20 0.38
HTR3A P46098 1/20 0.38
EGFR P00533 1/20 0.36
DRD2 P14416 1/20 0.35
DRD4 P21917 1/20 0.35
DRD3 P35462 1/20 0.35
LMNA P02545 2/20 0.35
FDPS P14324 1/20 0.35
F12 P00748 1/20 0.35
PLAU P00749 1/20 0.35
NCF1 P14598 1/20 0.35
NOS3 P29474 1/20 0.35
NOS1 P29475 1/20 0.35
NOS2 P35228 1/20 0.35
BACE1 P56817 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
HCRTR1 O43613 1/20 0.34
HCRTR2 O43614 1/20 0.34
HRH4 Q9H3N8 2/20 0.34
HTR2C P28335 1/20 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
SCHEMBL5452169 0.77 ROCK1 (0.48) LMNANPSR1IDH2HTT
SCHEMBL14428047 0.76 LMNA (0.60) LMNANPSR1IDH2HTT
SCHEMBL5448044 0.76 LMNA (0.60) LMNANPSR1IDH2HTT
SCHEMBL5378123 0.74 ACHE (0.46) LMNAHTT
SCHEMBL5376199 0.74 LMNA (0.57) LMNANPSR1IDH2HTT
SCHEMBL14440054 0.74 IDH2 (0.51) LMNANPSR1IDH2
SCHEMBL5382068 0.73 L3MBTL1 (0.50) LMNANPSR1IDH2HTT
SCHEMBL5387748 0.73 IDO1 (0.37) LMNANPSR1IDH2
SCHEMBL14503949 0.73 POLB (0.36) LMNANPSR1IDH2HTT
SCHEMBL5388905 0.73 POLB (0.36) LMNANPSR1IDH2HTT

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 USP30 3878/4885HTR3A 1463/4885EGFR 1242/4885
US-20050239827-A1 Antibacterial 3,5-diaminopiperidine-substituted aromatic and heteroaromatic compouds AMPD3, AAAS, PEPD USP30 3699/4885HTR3A 1332/4885EGFR 1690/4885

“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.