SCHEMBL10286804

SCHEMBL10286804

CC(=O)OC1CCCCc2c(-c3ccc(F)cc3)cc(Cl)nc21

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 3/20 0.38
P2RX7 Q99572 4/20 0.36
DRD2 P14416 4/20 0.36
HTR2A P28223 4/20 0.36
CNR1 P21554 2/20 0.36
CNR2 P34972 2/20 0.36
HRH2 P25021 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35
CHRM3 P20309 1/20 0.35
FAAH O00519 1/20 0.35
ABHD12 Q8N2K0 1/20 0.35
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34

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
SCHEMBL10286075 0.97 DRD2 (0.39) GRM2P2RX7DRD2HTR2AHRH2
SCHEMBL10286797 0.88 GRM2 (0.42) GRM2
SCHEMBL10286364 0.79 DRD2 (0.41) GRM2DRD2HTR2ACNR1CNR2
SCHEMBL10286448 0.77 CHRM4 (0.36) DRD2
SCHEMBL10287317 0.76 DRD2 (0.43) GRM2DRD2HTR2AHRH2HRH3
SCHEMBL10287027 0.74 ADORA1 (0.39) DRD2HRH2HRH3KDM4EALDH1A1
SCHEMBL25251053 0.70 CYP11B2 (0.36) P2RX7DRD2
SCHEMBL30429553 0.70 CYP11B2 (0.36) P2RX7DRD2
SCHEMBL7332801 0.70 DRD2 (0.52) DRD2HTR2AKDM4EALDH1A1
SCHEMBL10286842 0.69 FNTA (0.34) DRD2

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 GRM2 693/4885P2RX7 445/4885DRD2 149/4885

“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.