SCHEMBL6766826

SCHEMBL6766826

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

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CACNA1C Q13936 1/20 0.48
OPRM1 P35372 8/20 0.46
OPRD1 P41143 2/20 0.44
OPRK1 P41145 1/20 0.44
S1PR5 Q9H228 9/20 0.42
S1PR1 P21453 4/20 0.42

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
SCHEMBL6765932 0.90 S1PR5 (0.43) OPRM1S1PR5S1PR1
SCHEMBL6850209 0.87 OPRM1 (0.40) CACNA1COPRM1OPRD1OPRK1
SCHEMBL6850630 0.84 MEN1 (0.41) CACNA1COPRM1OPRD1OPRK1
SCHEMBL6766817 0.82 OPRM1 (0.37) CACNA1COPRM1OPRD1OPRK1
SCHEMBL6765258 0.79 OPRM1 (0.41) CACNA1COPRM1OPRD1OPRK1
SCHEMBL7160989 0.78 OPRM1 (0.49) OPRM1OPRD1OPRK1
SCHEMBL6771752 0.77 OPRM1 (0.39) OPRM1
SCHEMBL6767228 0.76 USP2 (0.39) CACNA1COPRM1OPRD1OPRK1
SCHEMBL7160833 0.75 KMT2A (0.44) OPRM1OPRD1OPRK1
SCHEMBL6766373 0.74 KMT2A (0.41) OPRM1

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 CACNA1C 254/4885OPRM1 2117/4885OPRD1 185/4885

“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.