SCHEMBL1968168

SCHEMBL1968168

COC(=O)c1cc(N2CCOC2=O)cc(N2C(=O)[C@]3(CC3(C)C)c3cc(F)ccc32)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKAG1 P54619 1/20 0.41
PRKAA1 Q13131 1/20 0.41
PRKAB1 Q9Y478 1/20 0.41
ELOVL6 Q9H5J4 1/20 0.35
PTGDR2 Q9Y5Y4 3/20 0.34
ANPEP P15144 3/20 0.32
AKR1B1 P15121 1/20 0.32
PIK3CA P42336 1/20 0.32
MTOR P42345 1/20 0.32
PDE10A Q9Y233 1/20 0.31
CASP3 P42574 1/20 0.31
KDM1A O60341 1/20 0.31
MAOA P21397 1/20 0.31
MAOB P27338 1/20 0.31
KDM1B Q8NB78 1/20 0.31
RCOR1 Q9UKL0 1/20 0.31
BACE1 P56817 1/20 0.31
ABL1 P00519 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
MAPK14 Q16539 1/20 0.31

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
SCHEMBL12555140 1.00 PRKAG1 (0.41) PRKAG1PRKAA1PRKAB1ELOVL6PTGDR2
SCHEMBL12555283 1.00 PRKAG1 (0.41) PRKAG1PRKAA1PRKAB1ELOVL6PTGDR2
SCHEMBL1978637 0.90 PRKAG1 (0.51) PRKAG1PRKAA1PRKAB1ELOVL6PTGDR2
SCHEMBL1976873 0.90 PRKAG1 (0.51) PRKAG1PRKAA1PRKAB1ELOVL6PTGDR2
SCHEMBL1969171 0.90 PRKAG1 (0.51) PRKAG1PRKAA1PRKAB1ELOVL6PTGDR2
SCHEMBL1975246 0.88 PRKAG1 (0.51) PRKAG1PRKAA1PRKAB1KDM1AMAOA
SCHEMBL1965288 0.88 PRKAG1 (0.51) PRKAG1PRKAA1PRKAB1KDM1AMAOA
SCHEMBL12555105 0.84 PRKAG1 (0.44) PRKAG1PRKAA1PRKAB1ELOVL6MAPK14
SCHEMBL1974577 0.84 PRKAG1 (0.44) PRKAG1PRKAA1PRKAB1ELOVL6MAPK14
SCHEMBL1968170 0.79 CMA1 (0.37) PRKAG1PRKAA1PRKAB1ELOVL6PTGDR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2509946-B1 SPIRO INDOLE-CYCLOPROPANE INDOLINONES USEFUL AS AMPK MODULATORS HOFFMANN LA ROCHE (CH) 2014-04-16 EP disclosed
US-20130102604-A1 NOVEL CYCLOPROPANE INDOLINONE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2013-04-25 US disclosed
US-20130102604-A1 NOVEL CYCLOPROPANE INDOLINONE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2013-04-25 US disclosed
US-20130102604-A1 NOVEL CYCLOPROPANE INDOLINONE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2013-04-25 US disclosed
US-8354443-B2 Cyclopropane indolinone derivatives HOFFMANN-LA ROCHE INC. (US) 2013-01-15 US disclosed
US-8354443-B2 Cyclopropane indolinone derivatives HOFFMANN-LA ROCHE INC. (US) 2013-01-15 US disclosed
US-8354443-B2 Cyclopropane indolinone derivatives HOFFMANN-LA ROCHE INC. (US) 2013-01-15 US disclosed
EP-2509946-A1 SPIRO INDOLE - CYCLOPROPANE INDOLINONES USEFUL AS AMPK MODULATORS F. Hoffmann-La Roche AG (CH) 2012-10-17 EP disclosed
WO-2011070039-A1 SPIRO INDOLE - CYCLOPROPANE INDOLINONES USEFUL AS AMPK MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2011-06-16 WO disclosed
US-20110144106-A1 NOVEL CYCLOPROPANE INDOLINONE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2011-06-16 US disclosed
US-20110144106-A1 NOVEL CYCLOPROPANE INDOLINONE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2011-06-16 US disclosed
US-20110144106-A1 NOVEL CYCLOPROPANE INDOLINONE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2011-06-16 US disclosed
WO-2011070039-A1 SPIRO INDOLE - CYCLOPROPANE INDOLINONES USEFUL AS AMPK MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2011-06-16 WO disclosed
WO-2011069298-A1 NOVEL CYCLOPROPANE INDOLINONE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2011-06-16 WO disclosed
WO-2011069298-A1 NOVEL CYCLOPROPANE INDOLINONE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2011-06-16 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-20110144106-A1 NOVEL CYCLOPROPANE INDOLINONE DERIVATIVES GPR119, CPT1A, IRS1 PRKAG1 2038/4885PRKAA1 1509/4885PRKAB1 1537/4885
US-20130102604-A1 NOVEL CYCLOPROPANE INDOLINONE DERIVATIVES GPR119, CPT1A, IRS1 PRKAG1 2091/4885PRKAA1 1553/4885PRKAB1 1577/4885

“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.