SCHEMBL15720867

SCHEMBL15720867

CCCNc1nc(N(C)C)nc(N(C)OC)n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.45
CYP1A2 P05177 3/20 0.44
CYP2C19 P33261 2/20 0.44
GAA P10253 2/20 0.40
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
CA9 Q16790 2/20 0.40
ALDH1A1 P00352 2/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
LMNA P02545 2/20 0.37
THRB P10828 1/20 0.37
BLM P54132 1/20 0.37
CREBBP Q92793 1/20 0.37
HSD17B10 Q99714 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
POLB P06746 1/20 0.36
KMT2A Q03164 3/20 0.36
MEN1 O00255 2/20 0.36
HTR7 P34969 1/20 0.35

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
Ena-001 SCHEMBL9105353 0.91 CYP1A2 (0.51) TP53CYP1A2CYP2C19GAACA1
SCHEMBL9912512 0.87 CYP1A2 (0.60) CYP1A2CYP2C19GAACA1CA2
SCHEMBL9912525 0.84 KMT2A (0.50) CYP1A2CYP2C19GAAHTTSMN1; SMN2
SCHEMBL9912526 0.84 CYP1A2 (0.45) CYP1A2CYP2C19GAACA1CA2
SCHEMBL9107388 0.84 CYP1A2 (0.41) TP53CYP1A2CYP2C19GAACA1
Ena-001 SCHEMBL25246350 0.83 CYP1A2 (0.44) CYP1A2CYP2C19GAACA1CA2
Ena-001 SCHEMBL13835411 0.83 CYP1A2 (0.44) CYP1A2CYP2C19GAACA1CA2
SCHEMBL17169331 0.81 CYP1A2 (0.40) TP53CYP1A2CYP2C19GAACA1
SCHEMBL15720421 0.81 CYP1A2 (0.43) TP53CYP1A2CYP2C19GAACA1
SCHEMBL17169332 0.81 HTT (0.46) TP53CYP1A2CYP2C19GAAALDH1A1

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
US-20150291597-A1 NOVEL ORALLY BIOAVAILABLE BREATHING CONTROL MODULATING COMPOUNDS, AND METHODS OF USING SAME GALLEON PHARMACEUTICALS, INC. 2015-10-15 US disclosed
US-20150291597-A1 NOVEL ORALLY BIOAVAILABLE BREATHING CONTROL MODULATING COMPOUNDS, AND METHODS OF USING SAME GALLEON PHARMACEUTICALS, INC. 2015-10-15 US disclosed
EP-2920155-A2 NOVEL ORALLY BIOAVAILABLE BREATHING CONTROL MODULATING COMPOUNDS, AND METHODS OF USING SAME Galleon Pharmaceuticals, Inc. (US) 2015-09-23 EP disclosed
WO-2014078575-A2 NOVEL ORALLY BIOAVAILABLE BREATHING CONTROL MODULATING COMPOUNDS, AND METHODS OF USING SAME GALLEON PHARMACEUTICALS, INC. (US) 2014-05-22 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-20150291597-A1 NOVEL ORALLY BIOAVAILABLE BREATHING CONTROL MODULATING COMPOUNDS, AND METHODS OF USING SAME MTNR1B, TNNC1, PER2 TP53 4795/4885CYP1A2 531/4885CYP2C19 648/4885

“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.