SCHEMBL1344157

SCHEMBL1344157

COC1CCC2(CC1)NC(=O)C(c1c(C)cc(Cl)c(Cl)c1C)C2=O

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ACACB O00763 3/20 0.39
ACACA Q13085 3/20 0.39
SLC6A4 P31645 3/20 0.34
SLC6A3 Q01959 3/20 0.34
DPP4 P27487 1/20 0.32
BACE1 P56817 2/20 0.30

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 0.81 ACACB (0.37) ACACBACACASLC6A4SLC6A3DPP4
SCHEMBL2886584 0.78 ACACB (0.33) ACACBACACADPP4BACE1
SCHEMBL1943774 0.78 BACE1 (0.37) ACACBACACADPP4BACE1
SCHEMBL5429034 0.78 DPP4 (0.37) ACACBACACASLC6A4SLC6A3DPP4
SCHEMBL16562510 0.77 ACACB (0.34) ACACBACACASLC6A4SLC6A3DPP4
SCHEMBL11025895 0.77 ACACB (0.43) ACACBACACASLC6A4SLC6A3DPP4
SCHEMBL2759733 0.77 ALDH1A1 (0.31)
SCHEMBL13366888 0.77 MAPT (0.33)
SCHEMBL3076232 0.76 ACACB (0.32) ACACBACACASLC6A4SLC6A3DPP4
SCHEMBL11028523 0.75 ACACB (0.39) ACACBACACASLC6A4SLC6A3DPP4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2030969-B1 Spirocyclic 3-phenyl-3-substituted 4-ketolactams and 4-ketolactones BAYER IP GMBH (DE) 2015-03-18 EP disclosed
US-8063096-B2 Spirocyclic 3-phenyl-3substituted-4-ketolactams and-lactones BAYER CROPSCIENCE AG (DE) 2011-11-22 US disclosed
EP-1432680-B1 SPIROCYCLIC 3-PHENYL-3-SUBSTITUTED 4-KETOLACTAMS AND 4-KETOLACTONES BAYER CROPSCIENCE AG (DE) 2009-04-15 EP disclosed
EP-2030969-A1 Spirocyclic 3-phenyl-3-substituted 4-ketolactams and 4-ketolactones Bayer CropScience AG (DE) 2009-03-04 EP disclosed
US-20080274893-A1 Spirocyclic 3-Phenyl-3substituted-4-Ketolactams and-lactones FISCHER REINER 2008-11-06 US disclosed
US-7425575-B2 Spirocyclic 3-phenyl-3-substituted 4-ketolactams and 4-ketolactones BAYER CROPSCIENCE AG (DE) 2008-09-16 US disclosed
US-20050032885-A1 Spirocyclic 3-phenyl-3-substituted 4-ketolactams and 4-ketolactones BAYER CROPSCIENCE AG (DE) 2005-02-10 US disclosed
EP-1432680-A1 SPIROCYCLIC 3-PHENYL-3-SUBSTITUTED 4-KETOLACTAMS AND 4-KETOLACTONES Bayer CropScience AG (DE) 2004-06-30 EP disclosed
WO-2003029213-A9 SPIROCYCLIC 3-PHENYL-3-SUBSTITUTED 4-KETOLACTAMS AND 4-KETOLACTONES BAYER CROPSCIENCE AG (DE) 2003-11-13 WO disclosed
WO-2003029213-A1 SPIROCYCLIC 3-PHENYL-3-SUBSTITUTED 4-KETOLACTAMS AND 4-KETOLACTONES BAYER CROPSCIENCE AG (DE) 2003-04-10 WO 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 (2 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-20080274893-A1 Spirocyclic 3-Phenyl-3substituted-4-Ketolactams and-lactones PDHX, PGLS, PKLR ACACB 753/4885ACACA 737/4885SLC6A4 4376/4885
US-20050032885-A1 Spirocyclic 3-phenyl-3-substituted 4-ketolactams and 4-ketolactones PDHX, CYP2A6, CYP2D6 ACACB 854/4885ACACA 795/4885SLC6A4 3512/4885

“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.