SCHEMBL6850976

SCHEMBL6850976

COC(=O)C1(NC(=O)Cc2c(C)cc(C)cc2C)CCN(C)CC1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.40
OPRM1 P35372 6/20 0.36
ADRA1A P35348 2/20 0.34
SLC22A1 O15245 1/20 0.34
SLC6A4 P31645 1/20 0.34
OPRD1 P41143 1/20 0.34
OPRK1 P41145 1/20 0.34
KCNH2 Q12809 1/20 0.34
TP53 P04637 1/20 0.34
ADRA1D P25100 1/20 0.34
MEN1 O00255 1/20 0.33
POLB P06746 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL9595651 0.90 MEN1 (0.34) MEN1POLBKMT2A
SCHEMBL37248 0.89 EPHX2 (0.33) ALOX15ADRA1ATP53ADRA1DMEN1
SCHEMBL6762557 0.87 ALOX15 (0.42) ALOX15OPRM1ADRA1ASLC22A1SLC6A4
SCHEMBL9595918 0.87 MAPT (0.40) MEN1POLBKMT2A
SCHEMBL1955019 0.87 MEN1 (0.32) ALOX15ADRA1ATP53ADRA1DMEN1
SCHEMBL247909 0.86 HDAC3 (0.35) ALOX15OPRM1ADRA1AOPRD1TP53
SCHEMBL9595748 0.86 MAPT (0.42) TP53MEN1POLBKMT2A
SCHEMBL12573635 0.85 MAPT (0.38) MEN1POLBKMT2A
SCHEMBL8906438 0.85 MEN1 (0.31) MEN1KMT2A
SCHEMBL6850163 0.84 OPRM1 (0.39) ALOX15OPRM1ADRA1ATP53ADRA1D

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 ALOX15 3946/4885OPRM1 2117/4885ADRA1A 490/4885

“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.