SCHEMBL45964

SCHEMBL45964

CCOC(=O)OC1=C(c2c(C)cccc2C)C(=O)N(C)C12CCN(OC)CC2

nearest known ligand 0.33

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
ALDH1A1 P00352 6/20 0.33
APP P05067 3/20 0.32
OPRM1 P35372 3/20 0.32
MAPT P10636 2/20 0.32
SLC22A1 O15245 1/20 0.32
SLC6A4 P31645 1/20 0.32
ADRA1A P35348 1/20 0.32
OPRD1 P41143 1/20 0.32
OPRK1 P41145 1/20 0.32
KCNH2 Q12809 1/20 0.32
HTT P42858 1/20 0.32
HSD17B10 Q99714 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.31
GAA P10253 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
BLM P54132 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
SCHEMBL46113 0.91 LMNA (0.32) MEN1KMT2AOPRM1HTTHSD17B10
SCHEMBL46076 0.91 MEN1 (0.34) MEN1KMT2AALDH1A1APPOPRM1
SCHEMBL38046 0.90 MEN1 (0.32) MEN1KMT2AL3MBTL1
SCHEMBL19275148 0.90 MEN1 (0.33) MEN1KMT2AALDH1A1APPOPRM1
SCHEMBL46202 0.89 MEN1 (0.32) MEN1KMT2AALDH1A1APPOPRM1
SCHEMBL45958 0.88 MAPK1 (0.32) MEN1KMT2AALDH1A1GAA
SCHEMBL12070319 0.87 TSHR (0.33) ALDH1A1OPRM1MAPTHTTHSD17B10
SCHEMBL46108 0.86 L3MBTL1 (0.31) L3MBTL1
SCHEMBL46073 0.85 ALDH1A1 (0.32) MEN1KMT2AALDH1A1L3MBTL1GAA
SCHEMBL14998131 0.85 GABRA1 (0.33)

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 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2575469-B1 PESTICIDAL COMPOSITIONS SYNGENTA PARTICIPATIONS AG (CH) 2018-03-14 EP disclosed
US-9771365-B2 Spiroheterocyclic N-oxypiperidines as pesticides SYNGENTA PARTICIPATIONS AG (CH) 2017-09-26 US disclosed
US-9771365-B2 Spiroheterocyclic N-oxypiperidines as pesticides SYNGENTA PARTICIPATIONS AG (CH) 2017-09-26 US disclosed
EP-2575472-B1 METHOD OF CONTROLLING NEONICOTINOID RESISTANT HEMIPTERA USING SPIROHETEROCYCLIC PYRROLIDINE DIONE DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2017-07-19 EP disclosed
US-9485989-B2 Method of controlling neonicotinoid resistant hemiptera SYNGENTA PARTICIPATIONS AG (CH) 2016-11-08 US disclosed
US-9485989-B2 Method of controlling neonicotinoid resistant hemiptera SYNGENTA PARTICIPATIONS AG (CH) 2016-11-08 US disclosed
US-9462808-B2 Pesticidal compositions SYNGENTA PARTICIPANTS AG (CH) 2016-10-11 US disclosed
US-9462808-B2 Pesticidal compositions SYNGENTA PARTICIPANTS AG (CH) 2016-10-11 US disclosed
EP-2575449-B1 PESTICIDAL COMPOSITIONS SYNGENTA PARTICIPATIONS AG (CH) 2016-04-27 EP disclosed
US-20150259345-A1 SPIROHETEROCYCLIC N-OXYPIPERIDINES AS PESTICIDES SYNGENTA LIMITED (GB) 2015-09-17 US disclosed
US-20140018242-A1 METHOD OF CROP ENHANCEMENT SYNGENTA PARTICIPATIONS AG (CH) 2014-01-16 US disclosed
US-20130225411-A1 PESTICIDAL COMPOSITIONS SYNGENTA CROP PROTECTION LLC (US) 2013-08-29 US disclosed
US-20130225411-A1 PESTICIDAL COMPOSITIONS SYNGENTA CROP PROTECTION LLC (US) 2013-08-29 US disclosed
US-20130150394-A1 PESTICIDAL COMPOSITIONS SYNGENTA CROP PROTECTION LLC (US) 2013-06-13 US disclosed
WO-2011151249-A2 METHOD OF CONTROLLING NEONICOTINOID RESISTANT HEMIPTERA SYNGENTA PARTICIPATIONS AG (CH) 2011-12-08 WO disclosed
WO-2011151247-A2 PESTICIDAL COMPOSITIONS SYNGENTA PARTICIPATIONS AG (CH) 2011-12-08 WO disclosed
WO-2011151248-A1 PESTICIDAL COMPOSITIONS SYNGENTA PARTICIPATIONS AG (CH) 2011-12-08 WO disclosed
US-20110301031-A1 SPIROHETEROCYCLIC N-OXYPIPERIDINES AS PESTICIDES SYNGENTA CROP PROTECTION LLC (US) 2011-12-08 US disclosed
US-20110301031-A1 SPIROHETEROCYCLIC N-OXYPIPERIDINES AS PESTICIDES SYNGENTA CROP PROTECTION LLC (US) 2011-12-08 US disclosed
WO-2010066780-A1 SPIROHETEROCYCLIC N-OXYPIPERIDINES AS PESTICIDES SYNGENTA PARTICIPATIONS AG (CH) 2010-06-17 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 (5 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-20110301031-A1 SPIROHETEROCYCLIC N-OXYPIPERIDINES AS PESTICIDES DDT, THOP1, KCNH1 MEN1 3221/4885KMT2A 3568/4885ALDH1A1 399/4885
US-20130150394-A1 PESTICIDAL COMPOSITIONS ACHE, DDT, GAP43 MEN1 676/4885KMT2A 3732/4885ALDH1A1 1634/4885
US-20130225411-A1 PESTICIDAL COMPOSITIONS DDT, CIP2A, CYP51A1 MEN1 2355/4885KMT2A 3043/4885ALDH1A1 4253/4885
US-20140018242-A1 METHOD OF CROP ENHANCEMENT MYB, GUSB, CHAT MEN1 3329/4885KMT2A 363/4885ALDH1A1 3351/4885
US-20150259345-A1 SPIROHETEROCYCLIC N-OXYPIPERIDINES AS PESTICIDES DDT, THOP1, KCNH1 MEN1 2881/4885KMT2A 3930/4885ALDH1A1 260/4885

“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.