SCHEMBL3074236

SCHEMBL3074236

CN(C)C(=O)[C@@H](O)CCN

nearest known ligand 0.39

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GABRR1 P24046 2/20 0.39
GABBR2 O75899 2/20 0.33
GABBR1 Q9UBS5 2/20 0.33

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
SCHEMBL17144449 1.00 GABRR1 (0.39) GABRR1GABBR2GABBR1
SCHEMBL3061777 0.80
SCHEMBL3056223 0.80
SCHEMBL3056222 0.80
SCHEMBL1681004 0.78 CHRM1 (0.39)
SCHEMBL3056305 0.77 GABRR1 (0.37) GABRR1GABBR2GABBR1
SCHEMBL18281192 0.76 DPP7 (0.40) GABRR1GABBR2GABBR1
SCHEMBL18281190 0.76 DPP7 (0.40) GABRR1GABBR2GABBR1
SCHEMBL11494381 0.74 GPR84 (0.34)
SCHEMBL1681272 0.74 GPR84 (0.48)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100267719-A1 Enhanced Indolinone Based Protein Kinase Inhibitors THE SCRIPPS RESEARCH INSTITUTE (US) 2010-10-21 US disclosed
US-20100267719-A1 Enhanced Indolinone Based Protein Kinase Inhibitors THE SCRIPPS RESEARCH INSTITUTE (US) 2010-10-21 US disclosed
EP-1893194-A4 ENHANCED INDOLINONE BASED PROTEIN KINASE INHIBITORS SCRIPPS RESEARCH INST (US) 2009-07-01 EP disclosed
EP-1893194-A1 ENHANCED INDOLINONE BASED PROTEIN KINASE INHIBITORS The Scripps Research Institute (US) 2008-03-05 EP disclosed
US-20060287381-A1 Enhanced indolinone based protein kinase inhibitors THE SCRIPPS RESEARCH INSTITUTE (US) 2006-12-21 US disclosed
WO-2006127961-A1 ENHANCED INDOLINONE BASED PROTEIN KINASE INHIBITORS THE SCRIPPS RESEARCH INSTITUTE (US) 2006-11-30 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-20060287381-A1 Enhanced indolinone based protein kinase inhibitors PHKG1, PHKG2, PRKCH GABRR1 1997/4885GABBR2 3012/4885GABBR1 2931/4885
US-20100267719-A1 Enhanced Indolinone Based Protein Kinase Inhibitors PHKG1, PHKG2, PRKCH GABRR1 1608/4885GABBR2 3192/4885GABBR1 3230/4885

“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.