SCHEMBL20179413

SCHEMBL20179413

CCCNc1nc(NC)nc2c(NCC(O)(CC)CC)nc(NC)nc12

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SLC29A1 Q99808 4/20 0.43
TLR7 Q9NYK1 1/20 0.33
PDE4A P27815 2/20 0.31
APP P05067 1/20 0.31
BCHE P06276 1/20 0.31
ACHE P22303 1/20 0.31

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
Hydrochloric Acid SCHEMBL20164712 0.99 SLC29A1 (0.42) SLC29A1TLR7PDE4AAPPBCHE
SCHEMBL20164475 0.87 SLC29A1 (0.44) SLC29A1TLR7PDE4AAPPBCHE
Hydrochloric Acid SCHEMBL20164584 0.85 SLC29A1 (0.43) SLC29A1TLR7APPBCHEACHE
SCHEMBL16094312 0.84 SLC29A1 (0.51) SLC29A1TLR7PDE4AAPPBCHE
Hydrochloric Acid SCHEMBL17494536 0.82 SLC29A1 (0.50) SLC29A1TLR7APPBCHEACHE
SCHEMBL20164443 0.80 SLC29A1 (0.66) SLC29A1TLR7APPBCHEACHE
SCHEMBL20164342 0.78 SLC29A1 (0.47) SLC29A1TLR7APPBCHEACHE
Hydrochloric Acid SCHEMBL20164696 0.78 SLC29A1 (0.64) SLC29A1TLR7APPBCHEACHE
SCHEMBL20164523 0.77 SLC29A1 (0.62) SLC29A1TLR7
SCHEMBL16094829 0.77 SLC29A1 (0.71) SLC29A1APPBCHEACHE

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3316890-B1 NOVEL BREATHING CONTROL MODULATING COMPOUNDS, AND METHODS OF MAKING AND USING SAME NEURAD LTD (IL) 2023-09-06 EP disclosed
EP-3316890-B1 NOVEL BREATHING CONTROL MODULATING COMPOUNDS, AND METHODS OF MAKING AND USING SAME NEURAD LTD (IL) 2023-09-06 EP disclosed
US-10294228-B2 Breathing control modulating compounds, and methods of making and using same NEURAD LTD. (IL) 2019-05-21 US disclosed
US-20180141953-A1 Novel Breathing Control Modulating Compounds, and Methods of Making and Using Same NEURAD LTD. (IL) 2018-05-24 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-20180141953-A1 Novel Breathing Control Modulating Compounds, and Methods of Making and Using Same MTNR1B, CHRM3, PER2 SLC29A1 4472/4885TLR7 4569/4885PDE4A 15/4885
US-10294228-B2 Breathing control modulating compounds, and methods of making and using same MTNR1B, PDE3A, CHRM3 SLC29A1 4518/4885TLR7 4584/4885PDE4A 23/4885

“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.