SCHEMBL11025262

SCHEMBL11025262

CC1(C)CC(c2ccc(F)c(Cl)c2)Nc2ccc(C(N)=O)nc21

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKAG1 P54619 2/20 0.69
PRKAA1 Q13131 2/20 0.69
PRKAB1 Q9Y478 2/20 0.69
IDO1 P14902 4/20 0.37
TDO2 P48775 4/20 0.37
IP6K1 Q92551 1/20 0.37
PRKAB2 O43741 1/20 0.33
PRKAA2 P54646 1/20 0.33
PRKAG3 Q9UGI9 1/20 0.33
PRKAG2 Q9UGJ0 1/20 0.33
SCN9A Q15858 1/20 0.32
PGR P06401 1/20 0.32
RPS6KB1 P23443 1/20 0.32
AKT1 P31749 1/20 0.32
MGLL Q99685 3/20 0.32
CASP1 P29466 1/20 0.32
SLC6A2 P23975 1/20 0.32
ABCC9 O60706 1/20 0.32
ABCC8 Q09428 1/20 0.32
KCNJ11 Q14654 1/20 0.32

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
SCHEMBL11025519 0.92 PRKAG1 (0.81) PRKAG1PRKAA1PRKAB1IDO1TDO2
SCHEMBL11025424 0.86 PRKAG1 (0.61) PRKAG1PRKAA1PRKAB1IDO1TDO2
SCHEMBL11940917 0.83 PRKAG1 (0.59) PRKAG1PRKAA1PRKAB1IP6K1SCN9A
SCHEMBL42946 0.82 PRKAG1 (1.00) PRKAG1PRKAA1PRKAB1IDO1TDO2
SCHEMBL11024277 0.82 PRKAG1 (0.52) PRKAG1PRKAA1PRKAB1IDO1TDO2
SCHEMBL11024989 0.80 PRKAG1 (0.54) PRKAG1PRKAA1PRKAB1IDO1TDO2
SCHEMBL11026442 0.80 PRKAG1 (0.52) PRKAG1PRKAA1PRKAB1IDO1TDO2
SCHEMBL44986 0.79 PRKAG1 (0.81) PRKAG1PRKAA1PRKAB1IDO1TDO2
SCHEMBL45039 0.79 PRKAG1 (0.75) PRKAG1PRKAA1PRKAB1IDO1TDO2
SCHEMBL11025261 0.77 PRKAG1 (0.56) PRKAG1PRKAA1PRKAB1IDO1TDO2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8809369-B2 Tetrahydroquinoline derivatives HOFFMANN-LA ROCHE INC. (US) 2014-08-19 US claimed
EP-2668165-A1 NOVEL TETRAHYDROQUINOLINE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2013-12-04 EP claimed
WO-2012101068-A1 NOVEL TETRAHYDROQUINOLINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2012-08-02 WO claimed
US-20120190677-A1 NOVEL TETRAHYDROQUINOLINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2012-07-26 US claimed
US-8809369-B2 Tetrahydroquinoline derivatives HOFFMANN-LA ROCHE INC. (US) 2014-08-19 US disclosed
EP-2668165-A1 NOVEL TETRAHYDROQUINOLINE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2013-12-04 EP disclosed
WO-2012101068-A1 NOVEL TETRAHYDROQUINOLINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2012-08-02 WO disclosed
US-20120190677-A1 NOVEL TETRAHYDROQUINOLINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2012-07-26 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-20120190677-A1 NOVEL TETRAHYDROQUINOLINE DERIVATIVES RAB1A, RABL3, RAB7A PRKAG1 2822/4885PRKAA1 2934/4885PRKAB1 2344/4885

“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.