SCHEMBL3570809

SCHEMBL3570809

C=C(C)C(=O)c1ccccc1NCC(=O)OC(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTPRC P08575 2/20 0.41
ADRA1A P35348 1/20 0.40
ADRA1B P35368 1/20 0.40
RAB9A P51151 2/20 0.39
MEN1 O00255 2/20 0.39
NPC1 O15118 2/20 0.39
KMT2A Q03164 2/20 0.39
HTT P42858 2/20 0.39
THRB P10828 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
KDM4E B2RXH2 3/20 0.38
AGTR1 P30556 1/20 0.38
GLA P06280 1/20 0.38
GGPS1 O95749 2/20 0.37
POLB P06746 1/20 0.37
CYP2C19 P33261 1/20 0.37
PTGES O14684 1/20 0.36
ALDH1A1 P00352 2/20 0.35

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
SCHEMBL5956241 0.83 KDM4E (0.56) PTPRCADRA1AADRA1BRAB9AMEN1
SCHEMBL7434506 0.82 KDM4E (0.57) ADRA1AADRA1BMEN1NPC1KMT2A
SCHEMBL8052745 0.82 AGTR1 (0.51) PTPRCADRA1AADRA1BRAB9AMEN1
SCHEMBL15589407 0.81 PTPRC (0.41) PTPRCADRA1AADRA1BRAB9AMEN1
SCHEMBL6883754 0.80 RAB9A (0.47) RAB9AMEN1NPC1KMT2AHTT
SCHEMBL7860463 0.80 KDM4E (0.49) PTPRCADRA1AADRA1BRAB9AMEN1
SCHEMBL15589674 0.77 ADRA1A (0.40) PTPRCADRA1AADRA1BRAB9AMEN1
SCHEMBL6437790 0.77 MAPT (0.47) PTPRCRAB9ANPC1HTTTDP1
SCHEMBL28610965 0.77 GAA (0.45) PTPRCRAB9AMEN1NPC1KMT2A
SCHEMBL19225951 0.76 AGTR1 (0.40) PTPRCADRA1AADRA1BRAB9AMEN1

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-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
US-5274167-A A N-(meth)acryloyl amino acid amide BAYER AKTIENGESELLSCHAFT (DE) 1993-12-28 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 PTPRC 4664/4885ADRA1A 661/4885ADRA1B 42/4885
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 PTPRC 4768/4885ADRA1A 190/4885ADRA1B 11/4885

“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.