SCHEMBL6850972

SCHEMBL6850972

COC(=O)C1(N(C(C)=O)c2c(C)cc(C)cc2C)CCN(C)CC1

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 12/20 0.40
OPRD1 P41143 3/20 0.40
OPRK1 P41145 2/20 0.40
CACNA1C Q13936 1/20 0.40
ALOX15 P16050 1/20 0.36
SLC22A1 O15245 1/20 0.36
SLC6A4 P31645 1/20 0.36
ADRA1A P35348 1/20 0.36
KCNH2 Q12809 1/20 0.36

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
SCHEMBL6850157 0.85 ALDH1A1 (0.38) OPRM1OPRD1OPRK1CACNA1C
SCHEMBL6762559 0.85 ALOX15 (0.36) OPRM1OPRD1OPRK1ALOX15SLC22A1
SCHEMBL6765258 0.80 OPRM1 (0.41) OPRM1OPRD1OPRK1CACNA1CSLC22A1
SCHEMBL6850209 0.75 OPRM1 (0.40) OPRM1OPRD1OPRK1CACNA1C
SCHEMBL6771164 0.75 OPRM1 (0.38) OPRM1ALOX15
SCHEMBL6766443 0.74 FSCN1 (0.44) OPRM1OPRD1OPRK1CACNA1CALOX15
SCHEMBL6850224 0.73 USP2 (0.40) ALOX15
SCHEMBL6771029 0.71 TP53 (0.39) OPRM1OPRD1OPRK1CACNA1C
SCHEMBL6767279 0.70 ALDH1A1 (0.37) OPRM1OPRD1OPRK1SLC22A1SLC6A4
SCHEMBL18623777 0.69 OPRM1 (0.76) 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.