SCHEMBL6771076

SCHEMBL6771076

CN1CCC(C#N)(N(C(=O)CCl)c2ccccc2F)CC1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 4/20 0.37
KCNH2 Q12809 2/20 0.37
SIGMAR1 Q99720 1/20 0.37
ALDH1A1 P00352 1/20 0.36
SLC22A1 O15245 1/20 0.34
SLC6A4 P31645 1/20 0.34
ADRA1A P35348 1/20 0.34
OPRD1 P41143 1/20 0.34
OPRK1 P41145 1/20 0.34
MC4R P32245 2/20 0.34
KMT2A Q03164 1/20 0.34
AGTR2 P50052 1/20 0.33
DPP4 P27487 1/20 0.33
HCN1 O60741 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
SCHEMBL6762143 0.89 MEN1 (0.39) OPRM1KCNH2SIGMAR1ALDH1A1KMT2A
SCHEMBL6771757 0.81 OPRM1 (0.41) OPRM1KCNH2SIGMAR1ALDH1A1SLC22A1
SCHEMBL6850215 0.79 OPRM1 (0.45) OPRM1KCNH2SIGMAR1SLC22A1SLC6A4
SCHEMBL27445509 0.73 ALDH1A1 (0.38) OPRM1ALDH1A1
SCHEMBL6766377 0.70 CYP2D6 (0.43) OPRM1KCNH2SIGMAR1ALDH1A1OPRD1
SCHEMBL11870719 0.68 ALDH1A1 (0.43) OPRM1KCNH2SIGMAR1ALDH1A1KMT2A
SCHEMBL6850635 0.68 MEN1 (0.43) OPRM1KCNH2SIGMAR1OPRD1OPRK1
SCHEMBL7160842 0.68 KMT2A (0.44) OPRM1KCNH2SIGMAR1ALDH1A1SLC22A1
SCHEMBL23723512 0.66 ALDH1A1 (0.43) ALDH1A1KMT2A
SCHEMBL23818009 0.64 ALDH1A1 (0.57) ALDH1A1KMT2A

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 2117/4885KCNH2 31/4885SIGMAR1 2066/4885

“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.