SCHEMBL5378092

SCHEMBL5378092

N[C@@H]1C[C@H](N)CN(c2nc(NC(c3ccccc3)c3ccccc3)nc(N3C[C@H](N)C[C@H](N)C3)n2)C1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ACHE P22303 9/20 0.38
LMNA P02545 2/20 0.36
PIN1 Q13526 1/20 0.36
NPSR1 Q6W5P4 1/20 0.35
HTT P42858 2/20 0.35
HRH4 Q9H3N8 1/20 0.35
HDAC3 O15379 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
P2RX3 P56373 3/20 0.33

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
SCHEMBL14503587 0.93 NPSR1 (0.48) ACHELMNANPSR1HTT
SCHEMBL5380907 0.86 HTR7 (0.44) LMNANPSR1HRH4
SCHEMBL5380797 0.84 HTT (0.43) LMNANPSR1HTT
SCHEMBL5382850 0.84 CDK1 (0.39) LMNAHTT
SCHEMBL5384017 0.84 IDH1 (0.41) LMNAHTTHRH4HDAC1HDAC6
SCHEMBL5382275 0.84 CDK1 (0.39) LMNAHTT
SCHEMBL5382285 0.84 CDK1 (0.39) LMNAHTT
SCHEMBL5383953 0.83 MKNK2 (0.40) ACHELMNANPSR1HTTHRH4
SCHEMBL5383242 0.83 MKNK2 (0.40) ACHELMNANPSR1HTTHRH4
SCHEMBL5382829 0.83 EGFR (0.40) ACHELMNAHTTP2RX3

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 ACHE 3125/4885LMNA 4065/4885PIN1 966/4885
US-20050239827-A1 Antibacterial 3,5-diaminopiperidine-substituted aromatic and heteroaromatic compouds AMPD3, AAAS, PEPD ACHE 3665/4885LMNA 4008/4885PIN1 493/4885

“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.