SCHEMBL45118

SCHEMBL45118

COC(=O)c1ccc2c(c1)C(C)(C)CC(c1cc(Cl)ccc1Cl)N2

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKAB2 O43741 1/20 0.48
PRKAG1 P54619 1/20 0.48
PRKAA2 P54646 1/20 0.48
PRKAA1 Q13131 1/20 0.48
PRKAG3 Q9UGI9 1/20 0.48
PRKAG2 Q9UGJ0 1/20 0.48
PRKAB1 Q9Y478 1/20 0.48
IP6K1 Q92551 1/20 0.40
ALDH1A1 P00352 4/20 0.40
NPSR1 Q6W5P4 2/20 0.39
MAPT P10636 1/20 0.39
RARB P10826 3/20 0.39
RARG P13631 3/20 0.39
F10 P00742 1/20 0.38
F11 P03951 1/20 0.38
F7 P08709 1/20 0.38
RARA P10276 2/20 0.37
MAP2K4 P45985 1/20 0.37
CDYL2 Q8N8U2 1/20 0.37
CDYL Q9Y232 1/20 0.37

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
SCHEMBL11022524 0.90 ALDH1A1 (0.39) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL41867 0.88 PRKAG1 (0.62) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL42535 0.83 PRKAB2 (0.47) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL11024427 0.81 PRKAG1 (0.50) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL15752076 0.81 PRKAB2 (0.44) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL11025117 0.79 F7 (0.42) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL45058 0.78 PRKAG1 (0.77) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL11026378 0.78 F10 (0.38) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL11029863 0.77 PRKAG1 (0.49) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL15752016 0.77 FAAH (0.39) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2588458-B1 NOVEL TETRAHYDROQUINOLINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2014-06-04 EP disclosed
US-8592594-B2 Tetrahydro-quinoline derivatives HOFFMANN-LA ROCHE INC. (US) 2013-11-26 US disclosed
EP-2588458-A1 NOVEL TETRAHYDROQUINOLINE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2013-05-08 EP disclosed
US-20120004218-A1 NOVEL TETRAHYDRO-QUINOLINE DERIVATIVES HOFFMANN-LA ROCHE INC. 2012-01-05 US disclosed
WO-2012001020-A1 NOVEL TETRAHYDROQUINOLINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2012-01-05 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 (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-20120004218-A1 NOVEL TETRAHYDRO-QUINOLINE DERIVATIVES GPR119, PRKAB1, PRKAG1 PRKAB2 6/4885PRKAG1 3/4885PRKAA2 16/4885

“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.