SCHEMBL5384813

SCHEMBL5384813

N[C@@H]1C[C@H](N)CN(c2nc(Nc3ccccc3O)nc(N3C[C@H](N)C[C@H](N)C3)n2)C1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 9/20 0.50
POLB P06746 1/20 0.41
LMNA P02545 3/20 0.38
GAA P10253 4/20 0.38
MAPT P10636 4/20 0.38
NPSR1 Q6W5P4 3/20 0.38
KMT2A Q03164 3/20 0.38
HTT P42858 2/20 0.38
MEN1 O00255 2/20 0.38
KDM4E B2RXH2 1/20 0.38
MAPK1 P28482 1/20 0.38
BLM P54132 1/20 0.38
ULK1 O75385 1/20 0.36
IDH2 P48735 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
ADORA1 P30542 1/20 0.36

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
SCHEMBL14533281 0.91 GBA1 (0.51) GBA1POLBLMNANPSR1IDH2
SCHEMBL14440393 0.91 GBA1 (0.51) GBA1POLBLMNANPSR1IDH2
SCHEMBL5387748 0.85 IDO1 (0.37) GBA1POLBLMNAMAPTNPSR1
SCHEMBL5400330 0.84 POLB (0.60) POLBLMNAMAPTNPSR1KMT2A
SCHEMBL5425734 0.84 LMNA (0.51) GBA1POLBLMNAGAAMAPT
SCHEMBL5391380 0.83 GBA1 (0.40) GBA1POLBLMNANPSR1HTT
SCHEMBL5391785 0.82 AURKA (0.44) POLB
SCHEMBL5376551 0.82 CA2 (0.40) POLBLMNANPSR1
SCHEMBL5380627 0.81 POLB (0.39) GBA1POLBLMNAGAAMAPT
SCHEMBL5383824 0.81 G6PD (0.39) GBA1POLBGAAMAPTKMT2A

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-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 GBA1 2717/4885POLB 760/4885LMNA 4065/4885
US-20050239827-A1 Antibacterial 3,5-diaminopiperidine-substituted aromatic and heteroaromatic compouds AMPD3, AAAS, PEPD GBA1 2925/4885POLB 284/4885LMNA 4008/4885

“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.