SCHEMBL6764663

SCHEMBL6764663

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

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 3/20 0.38
DRD4 P21917 3/20 0.38
DRD3 P35462 3/20 0.38
KMO O15229 1/20 0.36
KDM4E B2RXH2 3/20 0.36
POLB P06746 2/20 0.36
ALDH1A1 P00352 2/20 0.36
CACNA1C Q13936 1/20 0.36
L3MBTL1 Q9Y468 3/20 0.36
HSD17B10 Q99714 1/20 0.36
ITGB3 P05106 1/20 0.35
ITGA2B P08514 1/20 0.35
OPRM1 P35372 1/20 0.35
OPRD1 P41143 1/20 0.35
S1PR5 Q9H228 2/20 0.35
S1PR1 P21453 1/20 0.34
TP53 P04637 1/20 0.34
TSHR P16473 1/20 0.34
HTT P42858 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
SCHEMBL6771029 0.86 TP53 (0.39) DRD2DRD4DRD3KDM4EALDH1A1
SCHEMBL6767279 0.86 ALDH1A1 (0.37) KDM4EPOLBALDH1A1L3MBTL1OPRM1
SCHEMBL6767298 0.82 POLB (0.38) KDM4EPOLBALDH1A1HSD17B10TSHR
SCHEMBL6850157 0.74 ALDH1A1 (0.38) ALDH1A1CACNA1CL3MBTL1OPRM1OPRD1
SCHEMBL6765932 0.71 S1PR5 (0.43) DRD2OPRM1S1PR5S1PR1
SCHEMBL6762559 0.71 ALOX15 (0.36) OPRM1OPRD1TP53
SCHEMBL6764659 0.68 POLB (0.40) DRD2DRD4DRD3KMOKDM4E
SCHEMBL5010587 0.68 HTT (0.56) DRD2DRD4DRD3POLBALDH1A1
SCHEMBL6764661 0.68 OPRM1 (0.40) KDM4EPOLBALDH1A1L3MBTL1OPRM1
SCHEMBL6850224 0.67 USP2 (0.40) POLBALDH1A1HSD17B10TSHR

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 DRD2 29/4885DRD4 8/4885DRD3 24/4885

“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.