SCHEMBL6767228

SCHEMBL6767228

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 4/20 0.39
OPRM1 P35372 6/20 0.39
ALDH1A1 P00352 4/20 0.39
MAPK1 P28482 3/20 0.39
CYP2C19 P33261 2/20 0.39
CACNA1C Q13936 1/20 0.38
OPRD1 P41143 1/20 0.38
OPRK1 P41145 1/20 0.38
KDM4E B2RXH2 1/20 0.38
MAPT P10636 1/20 0.38
CYP2D6 P10635 3/20 0.37
CYP1A2 P05177 3/20 0.37
HSD17B10 Q99714 3/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HPGD P15428 2/20 0.36
CYP2C9 P11712 1/20 0.36
ALOX12 P18054 1/20 0.36
RAB9A P51151 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 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
SCHEMBL6850630 0.92 MEN1 (0.41) USP2OPRM1ALDH1A1MAPK1CYP2C19
SCHEMBL6765258 0.89 OPRM1 (0.41) OPRM1CACNA1COPRD1OPRK1
SCHEMBL6771258 0.83 OPRM1 (0.38) OPRM1CACNA1COPRD1OPRK1CYP2D6
SCHEMBL6850209 0.81 OPRM1 (0.40) OPRM1ALDH1A1CACNA1COPRD1OPRK1
SCHEMBL7160833 0.80 KMT2A (0.44) OPRM1ALDH1A1OPRD1OPRK1KDM4E
SCHEMBL6764662 0.80 FSCN1 (0.43) USP2OPRM1ALDH1A1MAPK1KDM4E
SCHEMBL6766373 0.79 KMT2A (0.41) USP2OPRM1ALDH1A1MAPK1CYP2C19
SCHEMBL6766817 0.77 OPRM1 (0.37) OPRM1CACNA1COPRD1OPRK1
SCHEMBL6766826 0.76 CACNA1C (0.48) OPRM1CACNA1COPRD1OPRK1
SCHEMBL6850635 0.71 MEN1 (0.43) USP2OPRM1CACNA1COPRD1OPRK1

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 USP2 2520/4885OPRM1 2117/4885ALDH1A1 382/4885

“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.