SCHEMBL11024397

SCHEMBL11024397

Cc1ccc(Br)cc1C1CC(C)(C)c2cc(C(=O)O)ccc2N1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKAG1 P54619 2/20 0.45
PRKAA1 Q13131 2/20 0.45
PRKAB1 Q9Y478 2/20 0.45
PRKAB2 O43741 1/20 0.45
PRKAA2 P54646 1/20 0.45
PRKAG3 Q9UGI9 1/20 0.45
PRKAG2 Q9UGJ0 1/20 0.45
MAPT P10636 1/20 0.41
SRD5A1 P18405 1/20 0.38
SRD5A2 P31213 1/20 0.38
F10 P00742 1/20 0.36
F11 P03951 1/20 0.36
F7 P08709 1/20 0.36
MEN1 O00255 2/20 0.36
POLB P06746 2/20 0.36
KMT2A Q03164 2/20 0.36
TP53 P04637 1/20 0.36
PLA2G1B P04054 1/20 0.36
GAPDH P04406 1/20 0.36
HSPA1A P0DMV8 1/20 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
SCHEMBL11026378 0.88 F10 (0.38) PRKAG1PRKAA1PRKAB1PRKAB2PRKAA2
SCHEMBL11029863 0.88 PRKAG1 (0.49) PRKAG1PRKAA1PRKAB1PRKAB2PRKAA2
SCHEMBL11025981 0.80 KMO (0.43) PRKAG1PRKAA1PRKAB1PRKAB2PRKAA2
SCHEMBL11027562 0.80 PRKAG1 (0.38) PRKAG1PRKAA1PRKAB1PRKAB2PRKAA2
SCHEMBL2138126 0.77 PRKAB2 (0.47) PRKAG1PRKAA1PRKAB1PRKAB2PRKAA2
SCHEMBL11022524 0.77 ALDH1A1 (0.39) PRKAG1PRKAA1PRKAB1PRKAB2PRKAA2
SCHEMBL11025075 0.76 PRKAB2 (0.46) PRKAG1PRKAA1PRKAB1PRKAB2PRKAA2
SCHEMBL41867 0.76 PRKAG1 (0.62) PRKAG1PRKAA1PRKAB1PRKAB2PRKAA2
SCHEMBL11026744 0.76 TSHR (0.37) PRKAG1PRKAA1PRKAB1PRKAB2PRKAA2
SCHEMBL45058 0.76 PRKAG1 (0.77) PRKAG1PRKAA1PRKAB1PRKAB2PRKAA2

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 4 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
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.