SCHEMBL11029216

SCHEMBL11029216

CC1(C)CC(c2cc(F)cc(N3CCOCC3)c2)Nc2ccc(C(N)=O)cc21

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
F7 P08709 8/20 0.37
F10 P00742 7/20 0.37
F11 P03951 7/20 0.37
MAPT P10636 4/20 0.36
NTRK1 P04629 2/20 0.35
NTRK3 Q16288 2/20 0.35
NTRK2 Q16620 2/20 0.35
ALDH1A1 P00352 2/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
PSMD14 O00487 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ALOX15 P16050 1/20 0.35
ALOX12 P18054 1/20 0.35
MAPK1 P28482 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
HSD11B1 P28845 1/20 0.34

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
SCHEMBL42376 0.92 PRKAG1 (0.42) PRKAG1PRKAA1PRKAB1F7F10
SCHEMBL45124 0.90 PRKAG1 (0.52) PRKAG1PRKAA1PRKAB1MAPTALDH1A1
SCHEMBL11025816 0.89 PRKAG1 (0.40) PRKAG1PRKAA1PRKAB1F7F10
SCHEMBL45015 0.88 MAPT (0.40) PRKAG1PRKAA1PRKAB1MAPTNTRK1
SCHEMBL11025709 0.87 F7 (0.44) F7F10F11MAPTALDH1A1
SCHEMBL11027687 0.86 PRKAG1 (0.38) PRKAG1PRKAA1PRKAB1MAPTNTRK1
SCHEMBL45014 0.86 HTR1A (0.39) PRKAG1PRKAA1PRKAB1MAPTNTRK1
SCHEMBL11026607 0.85 MKNK1 (0.39) PRKAG1PRKAA1PRKAB1F7F10
SCHEMBL11940877 0.85 SCN9A (0.39) PRKAG1PRKAA1PRKAB1MAPTNTRK1
SCHEMBL45267 0.85 PRKAG1 (0.46) PRKAG1PRKAA1PRKAB1MAPTNTRK1

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.