SCHEMBL14904625

SCHEMBL14904625

C=CCN(C(=O)OC(C)(C)CC)c1cn(-c2cccnc2)nc1C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
DGAT1 O75907 1/20 0.36
GRM5 P41594 1/20 0.34
GRM1 Q13255 1/20 0.34
HTT P42858 1/20 0.34
RIPK1 Q13546 1/20 0.33
CPB2 Q96IY4 1/20 0.32
MAPK1 P28482 2/20 0.32
ALDH1A1 P00352 3/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
GPR119 Q8TDV5 1/20 0.32
USP2 O75604 1/20 0.31
ATM Q13315 1/20 0.31
TLR8 Q9NR97 1/20 0.31
NAMPT P43490 2/20 0.31
CNR1 P21554 1/20 0.30
CNR2 P34972 1/20 0.30
NPSR1 Q6W5P4 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
SCHEMBL10278946 0.92 GRM5 (0.39) NPC1RAB9ADGAT1GRM5GRM1
SCHEMBL15910385 0.87 DGAT1 (0.33) NPC1RAB9ADGAT1GRM5GRM1
SCHEMBL15356838 0.81 CPB2 (0.42) NPC1RAB9ADGAT1GRM5GRM1
SCHEMBL2691583 0.81 GRM5 (0.39) NPC1RAB9ADGAT1GRM5GRM1
SCHEMBL15363458 0.81 NPC1 (0.35) NPC1RAB9ADGAT1GRM1MAPK1
SCHEMBL15975578 0.80 CPB2 (0.41) NPC1RAB9ADGAT1GRM5GRM1
SCHEMBL10278944 0.79 DGAT1 (0.36) NPC1RAB9ADGAT1MAPK1KMT2A
SCHEMBL4967191 0.78 GAA (0.38) NPC1RAB9ADGAT1HTTMAPK1
SCHEMBL10278778 0.77 NPC1 (0.35) NPC1RAB9ADGAT1MAPK1ALDH1A1
SCHEMBL10278832 0.77 NPC1 (0.33) NPC1RAB9AMAPK1NAMPT

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
WO-2013062981-A1 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO DOW AGROSCIENCES LLC (US) 2013-05-02 WO disclosed
US-20130109566-A1 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO DOW AGROSCIENCES LLC (US) 2013-05-02 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-20130109566-A1 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO ACHE, DDT, PTMS NPC1 3920/4885RAB9A 980/4885DGAT1 1025/4885

“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.