SCHEMBL2450304

SCHEMBL2450304

COC1CCCC2(C1)NC(=O)C(c1c(C)cc(Cl)cc1Cl)C2=O

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 4/20 0.33
SLC6A3 Q01959 4/20 0.33
ACACB O00763 3/20 0.33
ACACA Q13085 3/20 0.33
PDE7A Q13946 1/20 0.32
PDE7B Q9NP56 9/20 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
SCHEMBL2525634 0.93 ACACB (0.37) SLC6A4SLC6A3ACACBACACA
SCHEMBL728664 0.85 ACACB (0.36) ACACBACACAPDE7APDE7B
SCHEMBL9410107 0.85 NPC1 (0.31)
SCHEMBL4498709 0.84
SCHEMBL12496990 0.84 PDE7A (0.43) PDE7APDE7B
SCHEMBL2446968 0.81
SCHEMBL3902215 0.78 CES1 (0.33) PDE7A
SCHEMBL12496896 0.77 PDE7A (0.40) PDE7A
SCHEMBL6290225 0.76 ACACB (0.43) ACACBACACA
SCHEMBL3397819 0.76 SLC6A4 (0.33) SLC6A4SLC6A3

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8410289-B2 Spirocyclic 3'-alkoxytetramic acids and-tetronic acids BAYER CROPSCIENCE AG (DE) 2013-04-02 US disclosed
EP-1761490-B1 3'-ALKOXY SPIROCYCLIC TETRAMIC AND TETRONIC ACIDS BAYER CROPSCIENCE AG (DE) 2011-09-07 EP disclosed
EP-2246328-A1 3'-Alkoxy spirocyclic tetronic acid derivatives Bayer CropScience AG (DE) 2010-11-03 EP disclosed
US-20090029858-A1 Spirocyclic 3'-Alkoxytetramic Acids and -Tetronic Acids BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2009-01-29 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-20090029858-A1 Spirocyclic 3'-Alkoxytetramic Acids and -Tetronic Acids DDT, MTX1, MTX2 SLC6A4 3627/4885SLC6A3 2585/4885ACACB 505/4885

“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.