SCHEMBL1958341

SCHEMBL1958341

COC(=O)C1(N(C(=O)Cc2c(C)cc(C)cc2C)N(C)C)CCN(OC)CC1

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 8/20 0.34
OPRD1 P41143 2/20 0.34
CACNA1C Q13936 1/20 0.34
OPRK1 P41145 1/20 0.34
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
EPHX2 P34913 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
SCHEMBL12574764 0.92 KCNH2 (0.32) OPRM1OPRD1CACNA1COPRK1EPHX2
SCHEMBL1958453 0.89 CACNA1C (0.36) OPRM1OPRD1CACNA1COPRK1
SCHEMBL37508 0.89 OPRM1 (0.37) OPRM1OPRD1CACNA1COPRK1MEN1
SCHEMBL37359 0.86 OPRM1 (0.35) OPRM1OPRD1CACNA1COPRK1MEN1
SCHEMBL46185 0.85 OPRM1 (0.34) OPRM1OPRD1CACNA1COPRK1MEN1
SCHEMBL12574778 0.84 MEN1 (0.30) MEN1KMT2A
SCHEMBL12574768 0.84 OPRM1 (0.32) OPRM1OPRD1CACNA1COPRK1MEN1
SCHEMBL46061 0.83 MEN1 (0.34) OPRM1OPRD1CACNA1COPRK1MEN1
SCHEMBL46281 0.83 OPRM1 (0.32) OPRM1OPRD1CACNA1COPRK1
SCHEMBL46049 0.83 MEN1 (0.38) OPRM1OPRD1CACNA1COPRK1MEN1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130065756-A1 SPIROHETEROCYCLIC DIONE DERIVATIVES USED AS PESTICIDES SYNGENTA CROP PROTECTION LLC (US) 2013-03-14 US disclosed
US-20130065756-A1 SPIROHETEROCYCLIC DIONE DERIVATIVES USED AS PESTICIDES SYNGENTA CROP PROTECTION LLC (US) 2013-03-14 US disclosed
US-20130065756-A1 SPIROHETEROCYCLIC DIONE DERIVATIVES USED AS PESTICIDES SYNGENTA CROP PROTECTION LLC (US) 2013-03-14 US disclosed
EP-2507213-A1 SPIROHETEROCYCLIC DIONE DERIVATIVES USED AS PESTICIDES Syngenta Participations AG (CH) 2012-10-10 EP disclosed
WO-2011067131-A1 SPIROHETEROCYCLIC DIONE DERIVATIVES USED AS PESTICIDES SYNGENTA PARTICIPATIONS AG (CH) 2011-06-09 WO disclosed
WO-2011067131-A1 SPIROHETEROCYCLIC DIONE DERIVATIVES USED AS PESTICIDES SYNGENTA PARTICIPATIONS AG (CH) 2011-06-09 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-20130065756-A1 SPIROHETEROCYCLIC DIONE DERIVATIVES USED AS PESTICIDES DDT, PKD2, PKD1 OPRM1 2214/4885OPRD1 280/4885CACNA1C 152/4885

“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.