SCHEMBL249012

SCHEMBL249012

Cc1cc(C)c(C2CC2)cc1CC(=O)Cl

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 1/20 0.37
GSK3B P49841 1/20 0.36
OPRL1 P41146 2/20 0.32
ADAM17 P78536 1/20 0.32
DRD2 P14416 1/20 0.31
DRD4 P21917 1/20 0.31
DRD3 P35462 1/20 0.31
SCN9A Q15858 1/20 0.31
PGK1 P00558 1/20 0.31
PGK2 P07205 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
LNPEP Q9UIQ6 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
SCHEMBL247830 0.85 NPSR1 (0.39) OPRL1NPSR1
SCHEMBL245882 0.81 PDGFRB (0.39) SLC6A3OPRL1
SCHEMBL15466092 0.78 NPSR1 (0.43) SLC6A3GSK3BPGK1PGK2NPSR1
Ether SCHEMBL27817334 0.77 PTGDR2 (0.34) SLC6A3OPRL1NPSR1
SCHEMBL27817381 0.74 HSD17B10 (0.38) SLC6A3OPRL1
SCHEMBL18869770 0.72 NOTUM (0.34) OPRL1
SCHEMBL11359967 0.70 SLC6A2 (0.41) SLC6A3OPRL1
SCHEMBL18432463 0.70 MAPT (0.42) DRD2DRD4DRD3
SCHEMBL2429892 0.70 PTGDR2 (0.33) GSK3B
SCHEMBL27841665 0.69 SLC6A3 (0.33) SLC6A3

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-2352375-B1 HERBICIDAL COMPOSITIONS SYNGENTA PARTICIPATIONS AG (CH) 2015-03-25 EP disclosed
EP-2352375-B1 HERBICIDAL COMPOSITIONS SYNGENTA PARTICIPATIONS AG (CH) 2015-03-25 EP disclosed
US-8722578-B2 Spiroheterocyclic pyrrolidinedione herbicidal compositions SYNGENTA PARTICIPATIONS AG (CH) 2014-05-13 US disclosed
US-8722578-B2 Spiroheterocyclic pyrrolidinedione herbicidal compositions SYNGENTA PARTICIPATIONS AG (CH) 2014-05-13 US disclosed
US-8722578-B2 Spiroheterocyclic pyrrolidinedione herbicidal compositions SYNGENTA PARTICIPATIONS AG (CH) 2014-05-13 US disclosed
EP-2421865-B1 SPIROHETEROCYCLIC PYRROLIDINE DIONE DERIVATIVES USED AS PESTICIDES SYNGENTA PARTICIPATIONS AG (CH) 2013-07-10 EP disclosed
EP-2421865-B1 SPIROHETEROCYCLIC PYRROLIDINE DIONE DERIVATIVES USED AS PESTICIDES SYNGENTA PARTICIPATIONS AG (CH) 2013-07-10 EP disclosed
US-8415369-B2 Spiroheterocyclic pyrrolidine dione derivatives useful as pesticides SYNGENTA CROP PROTECTION LLC (US) 2013-04-09 US disclosed
US-8415369-B2 Spiroheterocyclic pyrrolidine dione derivatives useful as pesticides SYNGENTA CROP PROTECTION LLC (US) 2013-04-09 US disclosed
EP-2197844-B1 SPIROHETEROCYCLIC PYRROLIDINE DIONE DERIVATIVES USEFUL AS PESTICIDES SYNGENTA PARTICIPATIONS AG (CH) 2012-07-25 EP disclosed
EP-2352375-A2 HERBICIDAL COMPOSITIONS Syngenta Participations AG (CH) 2011-08-10 EP disclosed
US-20100311777-A1 SPIROHETEROCYCLIC PYRROLIDINE DIONE DERIVATIVES USEFUL AS PESTICIDES SYNGENTA CROP PROTECTION, INC. (US) 2010-12-09 US disclosed
US-20100311777-A1 SPIROHETEROCYCLIC PYRROLIDINE DIONE DERIVATIVES USEFUL AS PESTICIDES SYNGENTA CROP PROTECTION, INC. (US) 2010-12-09 US disclosed
US-20100311777-A1 SPIROHETEROCYCLIC PYRROLIDINE DIONE DERIVATIVES USEFUL AS PESTICIDES SYNGENTA CROP PROTECTION, INC. (US) 2010-12-09 US disclosed
WO-2010115780-A1 SPIROHETEROCYCLIC PYRROLIDINE DIONE DERIVATIVES USED AS PESTICIDES SYNGENTA PARTICIPATIONS AG (CH) 2010-10-14 WO disclosed
WO-2010115780-A1 SPIROHETEROCYCLIC PYRROLIDINE DIONE DERIVATIVES USED AS PESTICIDES SYNGENTA PARTICIPATIONS AG (CH) 2010-10-14 WO disclosed
EP-2197844-A1 SPIROHETEROCYCLIC PYRROLIDINE DIONE DERIVATIVES USEFUL AS PESTICIDES Syngeta Participations AG (CH) 2010-06-23 EP disclosed
WO-2010052161-A2 HERBICIDAL COMPOSITIONS SYNGENTA PARTICIPATIONS AG (CH) 2010-05-14 WO disclosed
WO-2010052161-A2 HERBICIDAL COMPOSITIONS SYNGENTA PARTICIPATIONS AG (CH) 2010-05-14 WO disclosed
WO-2009049851-A1 SPIROHETEROCYCLIC PYRROLIDINE DIONE DERIVATIVES USEFUL AS PESTICIDES SYNGENTA PARTICIPATIONS AG (CH) 2009-04-23 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-20100311777-A1 SPIROHETEROCYCLIC PYRROLIDINE DIONE DERIVATIVES USEFUL AS PESTICIDES DDT, PKD2, PKD1 SLC6A3 2273/4885GSK3B 4408/4885OPRL1 1476/4885

“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.