SCHEMBL11025344

SCHEMBL11025344

CCc1ccc(N2CCOCC2)cc1C1CC(C)(C)c2cc(C(N)=O)ccc2N1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKAG1 P54619 1/20 0.39
PRKAA1 Q13131 1/20 0.39
PRKAB1 Q9Y478 1/20 0.39
LGMN Q99538 1/20 0.36
HTR1D P28221 5/20 0.36
DRD2 P14416 3/20 0.36
HTR2A P28223 3/20 0.36
HTR1A P08908 2/20 0.36
DRD4 P21917 1/20 0.36
KIF11 P52732 2/20 0.36
PRKDC P78527 1/20 0.35
MAPT P10636 3/20 0.35
LMNA P02545 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
SLC6A4 P31645 1/20 0.35
GSK3B P49841 1/20 0.35
CHRNA7 P36544 1/20 0.35
CHRNA10 Q9GZZ6 1/20 0.35
CHRNA9 Q9UGM1 1/20 0.35

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
SCHEMBL11024487 0.92 KMO (0.42) PRKAG1PRKAA1PRKAB1LGMNKIF11
SCHEMBL11028020 0.89 PRKAG1 (0.40) PRKAG1PRKAA1PRKAB1LGMNHTR1D
SCHEMBL11029425 0.89 SIRT2 (0.47) PRKAG1PRKAA1PRKAB1LGMNMAPT
SCHEMBL11028243 0.88 PRKAG1 (0.39) PRKAG1PRKAA1PRKAB1HTR1DDRD2
SCHEMBL11940900 0.85 SCN9A (0.38) PRKAG1PRKAA1PRKAB1MAPTEPHX2
SCHEMBL11025709 0.83 F7 (0.44) KIF11MAPTMEN1PSMD14ALDH1A1
SCHEMBL11025981 0.81 KMO (0.43) PRKAG1PRKAA1PRKAB1KIF11PRKDC
SCHEMBL11028969 0.81 SIRT2 (0.46) PRKAG1PRKAA1PRKAB1LGMNMAPT
SCHEMBL11027325 0.80 PRKAG1 (0.43) PRKAG1PRKAA1PRKAB1KIF11PRKDC
SCHEMBL11026365 0.80 F11 (0.41) PRKAG1PRKAA1PRKAB1

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.