SCHEMBL45012

SCHEMBL45012

CC(C)Oc1ccc(F)cc1C1CC(C)(C)c2cc(C(=O)NC(CO)CO)ccc2N1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 1/20 0.38
PRKAG1 P54619 2/20 0.36
PRKAA1 Q13131 2/20 0.36
PRKAB1 Q9Y478 2/20 0.36
TAS1R3 Q7RTX0 3/20 0.36
TAS1R1 Q7RTX1 3/20 0.36
KCNQ3 O43525 1/20 0.34
KCNQ2 O43526 1/20 0.34
F10 P00742 1/20 0.34
F11 P03951 1/20 0.34
F7 P08709 1/20 0.34
PRKAB2 O43741 1/20 0.33
PRKAA2 P54646 1/20 0.33
PRKAG3 Q9UGI9 1/20 0.33
PRKAG2 Q9UGJ0 1/20 0.33
P2RX3 P56373 3/20 0.33
PDE4A P27815 1/20 0.33
PDE4B Q07343 1/20 0.33
PDE4C Q08493 1/20 0.33
PDE4D Q08499 1/20 0.33

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
SCHEMBL15751996 0.87 ACHE (0.39) ABL1
SCHEMBL42542 0.86 PRKAG1 (0.46) PRKAG1PRKAA1PRKAB1F10F11
SCHEMBL45116 0.85 GAA (0.41) NAMPTMEN1KMT2A
SCHEMBL15752018 0.79 ACHE (0.38) PRKAG1PRKAA1PRKAB1PRKAB2PRKAA2
SCHEMBL45093 0.78 PRKAG1 (0.46) PRKAG1PRKAA1PRKAB1PRKAB2PRKAA2
SCHEMBL15751952 0.76 ACHE (0.39)
SCHEMBL2740542 0.70 PRKAG1 (0.64) MAPK14PRKAG1PRKAA1PRKAB1F10
SCHEMBL2740561 0.69 PRKAG1 (0.60) MAPK14PRKAG1PRKAA1PRKAB1F10
SCHEMBL45003 0.68 F10 (0.39) MAPK14F10F11F7
SCHEMBL2133363 0.65 SMN1; SMN2 (0.53) MEN1KMT2A

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-20120004218-A1 NOVEL TETRAHYDRO-QUINOLINE DERIVATIVES HOFFMANN-LA ROCHE INC. 2012-01-05 US disclosed
US-20120004218-A1 NOVEL TETRAHYDRO-QUINOLINE DERIVATIVES HOFFMANN-LA ROCHE INC. 2012-01-05 US 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 MAPK14 714/4885PRKAG1 3/4885PRKAA1 5/4885

“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.