SCHEMBL16094045

SCHEMBL16094045

CCCNc1nc(N(CC)CC)nc2c(NCCC)nc(NCC)nc12

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC29A1 Q99808 7/20 0.57
CYP1A2 P05177 2/20 0.41
CYP2C19 P33261 2/20 0.41
GAA P10253 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
CA9 Q16790 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
KDM4E B2RXH2 1/20 0.35
APP P05067 2/20 0.33
BCHE P06276 2/20 0.33
ACHE P22303 2/20 0.33
LMNA P02545 1/20 0.33
PDE4A P27815 1/20 0.32
PDE4B Q07343 1/20 0.32
PDE4C Q08493 1/20 0.32
PDE4D Q08499 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HTT P42858 1/20 0.32

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
SCHEMBL16094480 0.88 SLC29A1 (0.57) SLC29A1GAACA1CA2CA9
Hydrochloric Acid SCHEMBL17494517 0.87 SLC29A1 (0.56) SLC29A1GAACA1CA2CA9
SCHEMBL16094399 0.85 SLC29A1 (0.56) SLC29A1CYP1A2CYP2C19GAAL3MBTL1
SCHEMBL16094576 0.80 SLC29A1 (0.37) SLC29A1CYP1A2CYP2C19GAAL3MBTL1
Hydrochloric Acid SCHEMBL17494538 0.79 SLC29A1 (0.36) SLC29A1CYP1A2CYP2C19GAAL3MBTL1
SCHEMBL16094511 0.78 SLC29A1 (0.56) SLC29A1CYP1A2CYP2C19CA1CA2
SCHEMBL16094710 0.78 SLC29A1 (0.65) SLC29A1CYP1A2CYP2C19CA1CA2
SCHEMBL20164499 0.78 SLC29A1 (0.71) SLC29A1CYP1A2CYP2C19GAATDP1
Hydrochloric Acid SCHEMBL20164468 0.76 SLC29A1 (0.69) SLC29A1CYP1A2CYP2C19GAAKDM4E
Hydrochloric Acid SCHEMBL17494522 0.76 SLC29A1 (0.62) SLC29A1CYP1A2CYP2C19CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9643971-B2 Breathing control modulating compounds, and methods of using same GALLEON PHARMACEUTICALS, INC. (US) 2017-05-09 US claimed
US-20160046635-A1 NOVEL BREATHING CONTROL MODULATING COMPOUNDS, AND METHODS OF USING SAME GALLEON PHARMACEUTICALS, INC. 2016-02-18 US claimed
EP-2968329-A1 NOVEL BREATHING CONTROL MODULATING COMPOUNDS, AND METHODS OF USING SAME Galleon Pharmaceuticals, Inc. (US) 2016-01-20 EP claimed
WO-2014151462-A1 NOVEL BREATHING CONTROL MODULATING COMPOUNDS, AND METHODS OF USING SAME GALLEON PHARMACEUTICALS, INC. (US) 2014-09-25 WO claimed
US-9643971-B2 Breathing control modulating compounds, and methods of using same GALLEON PHARMACEUTICALS, INC. (US) 2017-05-09 US disclosed
US-20160046635-A1 NOVEL BREATHING CONTROL MODULATING COMPOUNDS, AND METHODS OF USING SAME GALLEON PHARMACEUTICALS, INC. 2016-02-18 US disclosed
EP-2968329-A1 NOVEL BREATHING CONTROL MODULATING COMPOUNDS, AND METHODS OF USING SAME Galleon Pharmaceuticals, Inc. (US) 2016-01-20 EP disclosed
WO-2014151462-A1 NOVEL BREATHING CONTROL MODULATING COMPOUNDS, AND METHODS OF USING SAME GALLEON PHARMACEUTICALS, INC. (US) 2014-09-25 WO 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 (1 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-20160046635-A1 NOVEL BREATHING CONTROL MODULATING COMPOUNDS, AND METHODS OF USING SAME PRDX5, QDPR, P2RX5 SLC29A1 1696/4885CYP1A2 1766/4885CYP2C19 1573/4885

“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.