SCHEMBL46075

SCHEMBL46075

CCOC(=O)OC1=C(c2cc(Br)c(F)cc2C)C(=O)N(OC2CCCO2)C12CCN(OC)CC2

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.33
OPRM1 P35372 1/20 0.33
OPRD1 P41143 1/20 0.33
ALDH1A1 P00352 3/20 0.32
KDM4E B2RXH2 2/20 0.32
TSHR P16473 1/20 0.31
POLB P06746 1/20 0.30
RECQL P46063 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
SCHEMBL46248 0.94 ALDH1A1 (0.32) L3MBTL1ALDH1A1TSHRPOLBRECQL
SCHEMBL45928 0.90 POLB (0.33) L3MBTL1ALDH1A1POLBRECQL
SCHEMBL46172 0.89 KDM4E (0.37) L3MBTL1OPRM1OPRD1ALDH1A1KDM4E
SCHEMBL46169 0.88 TSHR (0.33) L3MBTL1ALDH1A1KDM4ETSHRPOLB
SCHEMBL46065 0.87 ALDH1A1 (0.34) L3MBTL1ALDH1A1KDM4EPOLBRECQL
SCHEMBL46035 0.87 ALDH1A1 (0.31) L3MBTL1ALDH1A1POLB
SCHEMBL12071067 0.86
SCHEMBL12070203 0.86 ALDH1A1 (0.32) L3MBTL1OPRM1OPRD1ALDH1A1POLB
SCHEMBL46057 0.85 P2RY12 (0.32) L3MBTL1ALDH1A1KDM4ETSHRPOLB
SCHEMBL37251 0.85 ALDH1A1 (0.32) L3MBTL1OPRM1OPRD1ALDH1A1KDM4E

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 23 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
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-9018135-B2 Pesticidal compositions SYNGENTA PARTICIPATIONS AG (CH) 2015-04-28 US disclosed
US-9018135-B2 Pesticidal compositions SYNGENTA PARTICIPATIONS AG (CH) 2015-04-28 US disclosed
US-20140057930-A1 METHOD OF CONTROLLING NEONICOTINOID RESISTANT HEMIPTERA SYNGENTA PARTICIPATIONS AG (CH) 2014-02-27 US disclosed
EP-2352376-B1 SPIROHETEROCYCLIC N-OXYAMIDES AS PESTICIDES SYNGENTA PARTICIPATIONS AG (CH) 2014-01-01 EP 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-20110224079-A1 SPIROHETEROCYCLIC N-OXYAMIDES AS PESTICIDES SYNGENTA CROP PROTECTION LLC (US) 2011-09-15 US disclosed
US-20110224079-A1 SPIROHETEROCYCLIC N-OXYAMIDES AS PESTICIDES SYNGENTA CROP PROTECTION LLC (US) 2011-09-15 US disclosed
WO-2010063670-A1 SPIROHETEROCYCLIC N-OXYAMIDES AS PESTICIDES SYNGENTA PARTICIPATIONS AG (CH) 2010-06-10 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 (4 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-20130150394-A1 PESTICIDAL COMPOSITIONS ACHE, DDT, GAP43 L3MBTL1 366/4885OPRM1 1458/4885OPRD1 1337/4885
US-20130225411-A1 PESTICIDAL COMPOSITIONS DDT, CIP2A, CYP51A1 L3MBTL1 1693/4885OPRM1 2238/4885OPRD1 2133/4885
US-20140057930-A1 METHOD OF CONTROLLING NEONICOTINOID RESISTANT HEMIPTERA DDT, NAMPT, NISCH L3MBTL1 3845/4885OPRM1 3207/4885OPRD1 1360/4885
US-20110224079-A1 SPIROHETEROCYCLIC N-OXYAMIDES AS PESTICIDES DDT, ODC1, ACHE L3MBTL1 2360/4885OPRM1 127/4885OPRD1 5/4885

“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.