SCHEMBL10286154

SCHEMBL10286154

CN(C)c1ccnc2c1CCCCC2=O

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.34
MAPT P10636 1/20 0.34
HPGD P15428 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NOS3 P29474 1/20 0.33
NOS1 P29475 1/20 0.33
NOS2 P35228 1/20 0.33
GRM1 Q13255 10/20 0.32
ROCK2 O75116 1/20 0.32
ROCK1 Q13464 1/20 0.32
CDC42BPA Q5VT25 1/20 0.32
CDC42BPB Q9Y5S2 1/20 0.32
GRM5 P41594 6/20 0.32
PARP1 P09874 4/20 0.31
GABRG2 P18507 1/20 0.31
GABRB3 P28472 1/20 0.31
GABRA5 P31644 1/20 0.31
HRH3 Q9Y5N1 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
SCHEMBL10286593 0.80 GABRG2 (0.36) MAPTHPGDGABRG2GABRB3GABRA5
SCHEMBL10286174 0.79 NOS3 (0.36) HPGDRAB9ANOS3NOS1NOS2
SCHEMBL883075 0.75 KDM4E (0.35) HPGDGABRG2GABRB3GABRA5
SCHEMBL10286088 0.75 HTR2A (0.35) MAPTHPGDSMN1; SMN2NOS3NOS1
SCHEMBL10286114 0.74 BCL2L1 (0.37) MAPTHPGDSMN1; SMN2NOS3NOS1
SCHEMBL10286197 0.74 NOS3 (0.43) NOS3NOS1NOS2PARP1
SCHEMBL10286198 0.73 ALDH1A1 (0.42) MAPTHPGD
SCHEMBL10286096 0.72 KDM4E (0.33) NPC1MAPTHPGDRAB9ASMN1; SMN2
SCHEMBL16299700 0.72 GRM4 (0.36) HPGDNOS3NOS1NOS2ROCK2
SCHEMBL10286507 0.71 GABRG2 (0.36) MAPTHPGDSMN1; SMN2GABRG2GABRB3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130102631-A1 NOVEL MICROBIOCIDAL DIOXIME ETHER DERIVATIVES SYNGENTA CROP PROTECTION LLC (US) 2013-04-25 US disclosed
US-20130102631-A1 NOVEL MICROBIOCIDAL DIOXIME ETHER DERIVATIVES SYNGENTA CROP PROTECTION LLC (US) 2013-04-25 US disclosed
WO-2012001040-A1 NOVEL MICROBIOCIDAL DIOXIME ETHER DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2012-01-05 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-20130102631-A1 NOVEL MICROBIOCIDAL DIOXIME ETHER DERIVATIVES MSR1, DDT, MPO NPC1 3975/4885MAPT 4719/4885HPGD 1600/4885

“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.