SCHEMBL10286808

SCHEMBL10286808

CC(=O)OC1CCCCc2ccc(-c3ccccc3)nc21

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHRM4 P08173 5/20 0.38
DRD2 P14416 5/20 0.38
HTR7 P34969 5/20 0.38
ADORA1 P30542 5/20 0.36
ADORA2A P29274 3/20 0.36
ADORA3 P0DMS8 2/20 0.36
ALDH1A1 P00352 2/20 0.36
SLC18A3 Q16572 2/20 0.34
HCRTR1 O43613 1/20 0.34
HCRTR2 O43614 1/20 0.34
IRAK4 Q9NWZ3 1/20 0.34
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33

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
SCHEMBL10286028 0.96 CHRM4 (0.41) CHRM4DRD2HTR7ADORA1ADORA2A
SCHEMBL14885003 0.96 CHRM4 (0.41) CHRM4DRD2HTR7ADORA1ADORA2A
SCHEMBL10286793 0.81 CHRM4 (0.38) CHRM4DRD2HTR7ALDH1A1
SCHEMBL10287027 0.77 ADORA1 (0.39) CHRM4DRD2HTR7ADORA1ADORA2A
SCHEMBL4713765 0.77 HDAC1 (0.43) CHRM4DRD2HTR7ADORA2AHDAC6
SCHEMBL10286027 0.77 CHRM4 (0.39) CHRM4DRD2HTR7ALDH1A1
SCHEMBL10286480 0.76 CHRM4 (0.39) CHRM4DRD2HTR7ALDH1A1
SCHEMBL14885006 0.76 CHRM4 (0.39) CHRM4DRD2HTR7ALDH1A1
SCHEMBL10286368 0.76 RAB9A (0.40) ADORA1ADORA2AADORA3ALDH1A1IRAK4
SCHEMBL31598496 0.76 RAB9A (0.40) ADORA1ADORA2AADORA3ALDH1A1IRAK4

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 CHRM4 299/4885DRD2 149/4885HTR7 2466/4885

“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.