SCHEMBL6767279

SCHEMBL6767279

CC(=O)N(c1ccc(C)cc1C)C1(C(=O)O)CCN(C)CC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
P2RX7 Q99572 1/20 0.37
KDM4E B2RXH2 3/20 0.36
OPRM1 P35372 2/20 0.34
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
NOTUM Q6P988 1/20 0.33
BDKRB2 P30411 1/20 0.33
SLC22A1 O15245 1/20 0.33
SLC6A4 P31645 1/20 0.33
ADRA1A P35348 1/20 0.33
OPRD1 P41143 1/20 0.33
OPRK1 P41145 1/20 0.33
KCNH2 Q12809 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.32
TSHR P16473 1/20 0.32
NPC1 O15118 1/20 0.32
MAPT P10636 1/20 0.32
CASP3 P42574 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
SCHEMBL6767298 0.89 POLB (0.38) ALDH1A1KDM4ENOTUMSMN1; SMN2TSHR
SCHEMBL6850157 0.86 ALDH1A1 (0.38) ALDH1A1L3MBTL1P2RX7OPRM1KMT2A
SCHEMBL6764663 0.86 DRD2 (0.38) ALDH1A1L3MBTL1KDM4EOPRM1OPRD1
SCHEMBL6762559 0.84 ALOX15 (0.36) P2RX7OPRM1SLC22A1SLC6A4ADRA1A
SCHEMBL6764661 0.80 OPRM1 (0.40) ALDH1A1L3MBTL1P2RX7KDM4EOPRM1
SCHEMBL6850224 0.72 USP2 (0.40) ALDH1A1MEN1KMT2ASMN1; SMN2TSHR
SCHEMBL6850972 0.70 OPRM1 (0.40) OPRM1SLC22A1SLC6A4ADRA1AOPRD1
SCHEMBL6771029 0.70 TP53 (0.39) ALDH1A1KDM4EOPRM1OPRD1OPRK1
SCHEMBL6767104 0.69 HIF1A (0.38) ALDH1A1MEN1KMT2ANOTUMTSHR
SCHEMBL8477759 0.66 NOTUM (0.36) KDM4EMEN1KMT2ANOTUMSMN1; SMN2

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 ALDH1A1 382/4885L3MBTL1 1747/4885P2RX7 924/4885

“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.