SCHEMBL11025075

SCHEMBL11025075

CCc1ccccc1C1CC(C)(C)c2cc(C(=O)O)ccc2N1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKAB2 O43741 1/20 0.46
PRKAG1 P54619 1/20 0.46
PRKAA2 P54646 1/20 0.46
PRKAA1 Q13131 1/20 0.46
PRKAG3 Q9UGI9 1/20 0.46
PRKAG2 Q9UGJ0 1/20 0.46
PRKAB1 Q9Y478 1/20 0.46
F11 P03951 8/20 0.41
F7 P08709 7/20 0.41
F10 P00742 6/20 0.41
RXRA P19793 4/20 0.39
RARA P10276 5/20 0.38
RARB P10826 4/20 0.38
RARG P13631 4/20 0.38
CYP26A1 O43174 1/20 0.38
CYP26B1 Q9NR63 1/20 0.38
RXRB P28702 2/20 0.37
RXRG P48443 1/20 0.37
ALDH1A1 P00352 2/20 0.36
GAA P10253 2/20 0.36

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
SCHEMBL11026365 0.90 F11 (0.41) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL11025117 0.88 F7 (0.42) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL2138126 0.85 PRKAB2 (0.47) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL2138954 0.82 PRKAB2 (0.41) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL11940898 0.82 SCN9A (0.39) KDM4E
SCHEMBL11024487 0.79 KMO (0.42) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL2136642 0.78 PRKAB2 (0.41) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL2137420 0.77 PRKAB2 (0.45) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL41867 0.77 PRKAG1 (0.62) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL11024397 0.76 PRKAG1 (0.45) 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 2 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 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 PRKAB2 2943/4885PRKAG1 2822/4885PRKAA2 3425/4885

“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.