SCHEMBL6771258

SCHEMBL6771258

COC(=O)C1(N(C(C)=O)c2c(Cl)cccc2Cl)CCN(C(C)C(=O)O)CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 9/20 0.38
OPRD1 P41143 2/20 0.37
OPRK1 P41145 2/20 0.37
CACNA1C Q13936 1/20 0.37
P2RX7 Q99572 3/20 0.34
OPRL1 P41146 1/20 0.34
EGFR P00533 1/20 0.34
CHRM1 P11229 1/20 0.33
PTGS1 P23219 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
CHRNA1 P02708 1/20 0.32
CHRNG P07510 1/20 0.32
CHRNB1 P11230 1/20 0.32
CHRNB2 P17787 1/20 0.32
SLC6A2 P23975 1/20 0.32
CHRNB4 P30926 1/20 0.32
CHRNA3 P32297 1/20 0.32
CHRNA4 P43681 1/20 0.32
SLC6A3 Q01959 1/20 0.32

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
SCHEMBL6766817 0.93 OPRM1 (0.37) OPRM1OPRD1OPRK1CACNA1CP2RX7
SCHEMBL6765258 0.84 OPRM1 (0.41) OPRM1OPRD1OPRK1CACNA1C
SCHEMBL6767228 0.83 USP2 (0.39) OPRM1OPRD1OPRK1CACNA1CMEN1
SCHEMBL6762264 0.82 FSCN1 (0.39) OPRM1OPRD1OPRK1CACNA1CP2RX7
SCHEMBL6850209 0.77 OPRM1 (0.40) OPRM1OPRD1OPRK1CACNA1C
SCHEMBL6850630 0.76 MEN1 (0.41) OPRM1OPRD1OPRK1CACNA1CMEN1
SCHEMBL15817257 0.75 OPRM1 (0.66) OPRM1OPRD1OPRK1CACNA1COPRL1
SCHEMBL6766826 0.74 CACNA1C (0.48) OPRM1OPRD1OPRK1CACNA1C
SCHEMBL11565239 0.68 OPRM1 (0.68) OPRM1OPRD1OPRK1CACNA1COPRL1
SCHEMBL11457307 0.67 OPRM1 (0.52) OPRM1OPRD1OPRK1CACNA1C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6774133-B2 Substituted spiroheterocyclic 1H-3-aryl-pyrrolidine-2,4-dione derivatives, processes for their preparation, and their use as pesticides BAYER AKTIENGESELLSCHAFT (DE) 2004-08-10 US disclosed
US-20040009999-A1 Substituted spiroheterocyclic 1H-3-aryl-pyrrolidine-2,4-dione derivatives, processes for their preparation, and their use as pesticides FISCHER REINER (DE) 2004-01-15 US disclosed
US-6555567-B1 2-oxo-3-aryl-4-hydroxy-1-aza-8-thiaspiro(4.5)decane derivatives of given formula; use as arthropodicide or nematicide BAYER AKTIENGESELLSCHAFT (DE) 2003-04-29 US disclosed
US-6479489-B1 AN ARTHROPODICIDAL OR NEMATICIDAL COMPOSITION BAYER AKTIENGESELLSCHAFT (DE) 2002-11-12 US disclosed
US-5981567-A ARTHROPODICIDAL OR NEMATICIDAL COMPOSITION BAYER AKTIENGESELLSCHAFT (DE) 1999-11-09 US 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-20040009999-A1 Substituted spiroheterocyclic 1H-3-aryl-pyrrolidine-2,4-dione derivatives, processes for their preparation, and their use as pesticides DDT, HPD, CAT OPRM1 2117/4885OPRD1 185/4885OPRK1 2172/4885

“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.