SCHEMBL46090

SCHEMBL46090

CCOC(=O)OC1=C(c2c(C)cc(C)cc2Cl)C(=O)N(OC2CCCO2)C12CCN(OC)CC2

nearest known ligand 0.31

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
P2RY12 Q9H244 1/20 0.31
HTR4 Q13639 1/20 0.31
POLB P06746 1/20 0.30
MEN1 O00255 2/20 0.30
KMT2A Q03164 2/20 0.30
ALDH1A1 P00352 2/20 0.30
MAPT P10636 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
SCHEMBL37251 0.94 ALDH1A1 (0.32) POLBMEN1KMT2AALDH1A1MAPT
SCHEMBL46165 0.92 ALDH1A1 (0.33) POLBMEN1KMT2AALDH1A1MAPT
SCHEMBL12071040 0.92 POLB (0.32) P2RY12HTR4POLBMEN1KMT2A
SCHEMBL12070203 0.91 ALDH1A1 (0.32) POLBMEN1KMT2AALDH1A1MAPT
SCHEMBL46035 0.90 ALDH1A1 (0.31) POLBALDH1A1
SCHEMBL14998142 0.89
SCHEMBL14833982 0.89
SCHEMBL46057 0.88 P2RY12 (0.32) P2RY12HTR4POLBALDH1A1
SCHEMBL12070198 0.88 TSHR (0.33) POLBMEN1KMT2A
SCHEMBL46169 0.88 TSHR (0.33) P2RY12HTR4POLBMEN1KMT2A

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 P2RY12 1818/4885HTR4 4413/4885POLB 4095/4885
US-20130225411-A1 PESTICIDAL COMPOSITIONS DDT, CIP2A, CYP51A1 P2RY12 4358/4885HTR4 4748/4885POLB 2598/4885
US-20140057930-A1 METHOD OF CONTROLLING NEONICOTINOID RESISTANT HEMIPTERA DDT, NAMPT, NISCH P2RY12 765/4885HTR4 2323/4885POLB 2560/4885
US-20110224079-A1 SPIROHETEROCYCLIC N-OXYAMIDES AS PESTICIDES DDT, ODC1, ACHE P2RY12 3140/4885HTR4 4453/4885POLB 4547/4885

“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.