SCHEMBL3574775

SCHEMBL3574775

C=C(C)C(=O)NC(CC(C)C)C(=O)OC(C)(C)C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 8/20 0.48
POLB P06746 5/20 0.48
TDP1 Q9NUW8 4/20 0.48
MAPT P10636 10/20 0.45
KMT2A Q03164 8/20 0.45
MEN1 O00255 6/20 0.45
ALDH1A1 P00352 2/20 0.45
RECQL P46063 3/20 0.44
XBP1 P17861 1/20 0.44
TGFBR1 P36897 1/20 0.44
GAA P10253 1/20 0.43
CTSL P07711 1/20 0.43
CTSB P07858 1/20 0.43
CTSS P25774 1/20 0.43
CTSK P43235 1/20 0.43
MAPK1 P28482 3/20 0.41
ATM Q13315 2/20 0.41
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C8 P10632 1/20 0.40

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
SCHEMBL3574778 1.00 NPSR1 (0.48) NPSR1POLBTDP1MAPTKMT2A
SCHEMBL27412717 0.83 TAS1R3 (0.49) POLBALDH1A1TGFBR1
SCHEMBL7098405 0.83 TAS1R3 (0.49) POLBALDH1A1TGFBR1
SCHEMBL21675512 0.80 CTSK (0.61) NPSR1POLBTDP1MAPTKMT2A
SCHEMBL27513177 0.79 NPSR1 (0.51) NPSR1POLBTDP1MAPTKMT2A
SCHEMBL10029746 0.78 TGFBR1 (0.38) NPSR1POLBTDP1MAPTKMT2A
SCHEMBL6250485 0.78 NPSR1 (0.48) NPSR1POLBTDP1MAPTKMT2A
SCHEMBL21368437 0.78 NPSR1 (0.48) NPSR1POLBTDP1MAPTKMT2A
SCHEMBL15223603 0.78 NPSR1 (0.50) NPSR1POLBTDP1MAPTKMT2A
SCHEMBL13765045 0.78 NPSR1 (0.50) NPSR1POLBTDP1MAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7709644-B2 Process for the enantiomeric enrichment of cis-8-benzyl-7,9-dioxo-2,8-diazabicyclo[4.3.0]nonane LANXESS DEUTSCHLAND GMBH (DE) 2010-05-04 US disclosed
US-20070213536-A1 Process for the enantiomeric enrichment of cis-8-benzyl-7,9-dioxo-2,8-diazabicyclo[4.3.0]nonane LANXESS DEUTSCHLAND GMBH (DE) 2007-09-13 US disclosed
US-20040044205-A1 Process for the enantiomeric enrichment of cis-8-benzyl-7,9-dioxo-2,8-diazabicyclo[4.3.0]nonane LANXESS DEUTSCHLAND GMBH (DE) 2004-03-04 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 (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-20040044205-A1 Process for the enantiomeric enrichment of cis-8-benzyl-7,9-dioxo-2,8-diazabicyclo[4.3.0]nonane CYP1B1, DECR1, SPIN2B NPSR1 2545/4885POLB 82/4885TDP1 4106/4885
US-20070213536-A1 Process for the enantiomeric enrichment of cis-8-benzyl-7,9-dioxo-2,8-diazabicyclo[4.3.0]nonane CYP1B1, CYP8B1, CCR8 NPSR1 2227/4885POLB 64/4885TDP1 4454/4885

“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.