SCHEMBL4401598

SCHEMBL4401598

COC(CN)CC(=O)N(C)C

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.32
CHRNB2 P17787 1/20 0.31
CHRNB4 P30926 1/20 0.31
CHRNA4 P43681 1/20 0.31
PDCD1LG2 Q9BQ51 1/20 0.30
CD274 Q9NZQ7 1/20 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
SCHEMBL4399341 0.83
SCHEMBL4401107 0.83 ALDH1A1 (0.34) ALDH1A1
SCHEMBL5589926 0.83 CYP2C9 (0.32) ALDH1A1CHRNB2CHRNB4CHRNA4
SCHEMBL12237505 0.83 ALDH1A1 (0.37) ALDH1A1CHRNB2CHRNB4CHRNA4
SCHEMBL5265930 0.81 CNR1 (0.32) ALDH1A1CHRNB2CHRNB4CHRNA4
SCHEMBL6540754 0.75
SCHEMBL23725482 0.73 GABRR1 (0.52) ALDH1A1CHRNB2CHRNB4CHRNA4
SCHEMBL10266100 0.73 CHRNB2 (0.38) ALDH1A1CHRNB2CHRNB4CHRNA4
SCHEMBL23725479 0.73 GABRR1 (0.52) ALDH1A1CHRNB2CHRNB4CHRNA4
SCHEMBL25602863 0.73 MGAM (0.44) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090305382-A1 ALKOXY INDOLINONE BASED PROTEIN KINASE INHIBITORS THE SCRIPPS RESEARCH INSTITUTE (US) 2009-12-10 US disclosed
US-20090305382-A1 ALKOXY INDOLINONE BASED PROTEIN KINASE INHIBITORS THE SCRIPPS RESEARCH INSTITUTE (US) 2009-12-10 US disclosed
US-7629339-B2 inhibitors of protein kinases and are useful in treating cancer; 4-({5-[5-Fluoro-2-oxo-1,2-dihydro-indol-(3Z)-ylidenemethyl]-2,4-dimethyl-1H-pyrrole-3-carbonyl}-amino)-3-methoxy-butyric acid; anticarcinogenic agent THE SCRIPPS RESEARCH INSTITUTE (US) 2009-12-08 US disclosed
US-7629339-B2 inhibitors of protein kinases and are useful in treating cancer; 4-({5-[5-Fluoro-2-oxo-1,2-dihydro-indol-(3Z)-ylidenemethyl]-2,4-dimethyl-1H-pyrrole-3-carbonyl}-amino)-3-methoxy-butyric acid; anticarcinogenic agent THE SCRIPPS RESEARCH INSTITUTE (US) 2009-12-08 US disclosed
EP-1926725-A1 ALKOXY INDOLINONE BASED PROTEIN KINASE INHIBITORS The Scripps Research Institute (US) 2008-06-04 EP disclosed
WO-2007038251-A1 ALKOXY INDOLINONE BASED PROTEIN KINASE INHIBITORS THE SCRIPPS RESEARCH INSTITUTE (US) 2007-04-05 WO disclosed
US-20070072934-A1 Alkoxy indolinone based protein kinase inhibitors THE SCRIPPS RESEARCH INSTITUTE (US) 2007-03-29 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-20070072934-A1 Alkoxy indolinone based protein kinase inhibitors PHKG1, MAP3K19, MAP3K20 ALDH1A1 1969/4885CHRNB2 3785/4885CHRNB4 4184/4885

“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.