SCHEMBL16094563

SCHEMBL16094563

C=CCN(CC=C)c1nc(NC)c2nc(NCCC)nc(NC)c2n1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC29A1 Q99808 7/20 0.46
CRHR1 P34998 2/20 0.35
CYP1A2 P05177 1/20 0.31
CYP2C19 P33261 1/20 0.31
APP P05067 2/20 0.31
BCHE P06276 2/20 0.31
ACHE P22303 2/20 0.31
KMT2A Q03164 2/20 0.31
MEN1 O00255 1/20 0.31
LMNA P02545 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
SCHEMBL16094477 0.81 SLC29A1 (0.44) SLC29A1CYP1A2CYP2C19APPBCHE
SCHEMBL16094288 0.81 SLC29A1 (0.72) SLC29A1CYP2C19KMT2AMEN1LMNA
SCHEMBL16094704 0.81 SLC29A1 (0.51) SLC29A1CYP1A2CYP2C19APPBCHE
Hydrochloric Acid SCHEMBL17494537 0.80 SLC29A1 (0.70) SLC29A1CYP2C19KMT2AMEN1LMNA
SCHEMBL17494525 0.80 CRHR1 (0.33) SLC29A1CRHR1
SCHEMBL16094237 0.79 SLC29A1 (0.50) SLC29A1CRHR1CYP1A2CYP2C19
Hydrochloric Acid SCHEMBL16094696 0.79 SLC29A1 (0.50) SLC29A1CYP1A2CYP2C19APPBCHE
SCHEMBL16094551 0.76 SLC29A1 (0.43) SLC29A1CYP1A2CYP2C19APPBCHE
SCHEMBL16094277 0.75 SLC29A1 (0.44) SLC29A1CYP1A2CYP2C19APPBCHE
SCHEMBL16094717 0.75 SLC29A1 (0.55) SLC29A1

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-9643971-B2 Breathing control modulating compounds, and methods of using same GALLEON PHARMACEUTICALS, INC. (US) 2017-05-09 US 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 1696/4885CRHR1 1692/4885CYP1A2 1766/4885

“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.