SCHEMBL17169331

SCHEMBL17169331

CCCNc1nc(N(C)OC)nc([N+](C)(C)C)n1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.40
CYP2C19 P33261 2/20 0.40
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33
LMNA P02545 1/20 0.33
GAA P10253 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
DNM2 P50570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 1/20 0.31
ESR1 P03372 1/20 0.31
ESR2 Q92731 1/20 0.31
APP P05067 1/20 0.30
BCHE P06276 1/20 0.30
ACHE P22303 1/20 0.30
TP53 P04637 1/20 0.30

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 SCHEMBL15720872 0.99 CYP1A2 (0.39) CYP1A2CYP2C19KMT2AMEN1LMNA
SCHEMBL15720467 0.95 CYP1A2 (0.36) CYP1A2CYP2C19KMT2AMEN1LMNA
Ena-001 SCHEMBL9105353 0.86 CYP1A2 (0.51) CYP1A2CYP2C19KMT2AMEN1LMNA
SCHEMBL15720867 0.81 TP53 (0.45) CYP1A2CYP2C19KMT2AMEN1LMNA
SCHEMBL9912512 0.81 CYP1A2 (0.60) CYP1A2CYP2C19KMT2AMEN1LMNA
SCHEMBL9912525 0.79 KMT2A (0.50) CYP1A2CYP2C19KMT2AMEN1LMNA
SCHEMBL9912526 0.79 CYP1A2 (0.45) CYP1A2CYP2C19KMT2AGAAL3MBTL1
SCHEMBL9107388 0.79 CYP1A2 (0.41) CYP1A2CYP2C19KMT2AMEN1LMNA
Ena-001 SCHEMBL25246350 0.78 CYP1A2 (0.44) CYP1A2CYP2C19KMT2AMEN1LMNA
Ena-001 SCHEMBL13835411 0.78 CYP1A2 (0.44) CYP1A2CYP2C19KMT2AMEN1LMNA

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 2 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

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 CYP1A2 531/4885CYP2C19 648/4885KMT2A 3151/4885

“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.