SCHEMBL6771752

SCHEMBL6771752

CC(=O)N(c1c(F)cccc1Cl)C1(C(=O)O)CCN(C)CC1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 2/20 0.39
ALDH1A1 P00352 1/20 0.39
HDAC4 P56524 1/20 0.36
CXCR2 P25025 3/20 0.36
MAPT P10636 2/20 0.35
KDM4E B2RXH2 1/20 0.35
GFER P55789 1/20 0.35
MAPK1 P28482 2/20 0.34
GAA P10253 1/20 0.34
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34

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
SCHEMBL6766373 0.89 KMT2A (0.41) OPRM1ALDH1A1HDAC4MAPTKDM4E
SCHEMBL6850209 0.87 OPRM1 (0.40) OPRM1ALDH1A1CXCR2
SCHEMBL6765932 0.87 S1PR5 (0.43) OPRM1
SCHEMBL7160989 0.85 OPRM1 (0.49) OPRM1ALDH1A1KDM4EKMT2AMEN1
SCHEMBL27445509 0.81 ALDH1A1 (0.38) OPRM1ALDH1A1CXCR2MAPTKDM4E
SCHEMBL6765258 0.78 OPRM1 (0.41) OPRM1
SCHEMBL6850630 0.77 MEN1 (0.41) OPRM1ALDH1A1MAPTKDM4EGFER
SCHEMBL6766826 0.77 CACNA1C (0.48) OPRM1
SCHEMBL6762559 0.73 ALOX15 (0.36) OPRM1MAPT
SCHEMBL6771757 0.71 OPRM1 (0.41) OPRM1ALDH1A1KDM4EKMT2A

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 7 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
CN-1099420-C Substituted spiroheterocyclic 1H-3-arylpyrrolidine-2,4-dione derivatives, methods of preparing them and their use as pest-control agents BAYER AG (DE) 2003-01-22 CN 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
CN-1126475-A Substituted spiroheterocyclic 1H-3-arylpyrrolidine-2,4-dione derivatives, methods of preparing them and their use as pest-control agents BAYER AG (DE) 1996-07-10 CN 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 2117/4885ALDH1A1 382/4885HDAC4 703/4885

“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.