SCHEMBL11024487

SCHEMBL11024487

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMO O15229 1/20 0.42
RXRA P19793 1/20 0.40
PRKAG1 P54619 2/20 0.39
PRKAA1 Q13131 2/20 0.39
PRKAB1 Q9Y478 2/20 0.39
PRKAB2 O43741 1/20 0.39
PRKAA2 P54646 1/20 0.39
PRKAG3 Q9UGI9 1/20 0.39
PRKAG2 Q9UGJ0 1/20 0.39
RARB P10826 1/20 0.38
RARA P10276 1/20 0.38
RARG P13631 1/20 0.38
MAPT P10636 2/20 0.37
MEN1 O00255 2/20 0.37
ALDH1A1 P00352 2/20 0.37
KMT2A Q03164 2/20 0.37
PSMD14 O00487 1/20 0.37
KIF11 P52732 4/20 0.37
PRKDC P78527 1/20 0.36
L3MBTL1 Q9Y468 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
SCHEMBL11025344 0.92 PRKAG1 (0.39) KMORXRAPRKAG1PRKAA1PRKAB1
SCHEMBL11029425 0.90 SIRT2 (0.47) PRKAG1PRKAA1PRKAB1MAPTMEN1
SCHEMBL11025981 0.89 KMO (0.43) KMORXRAPRKAG1PRKAA1PRKAB1
SCHEMBL11027325 0.88 PRKAG1 (0.43) KMORXRAPRKAG1PRKAA1PRKAB1
SCHEMBL11940900 0.86 SCN9A (0.38) PRKAG1PRKAA1PRKAB1RARARARG
SCHEMBL41549 0.82 KMO (0.52) KMORXRAMAPTMEN1ALDH1A1
SCHEMBL11028969 0.81 SIRT2 (0.46) PRKAG1PRKAA1PRKAB1MAPTMEN1
SCHEMBL11028020 0.81 PRKAG1 (0.40) KMORXRAPRKAG1PRKAA1PRKAB1
SCHEMBL11025530 0.80 SIRT2 (0.45) MAPTMEN1ALDH1A1KMT2AL3MBTL1
SCHEMBL11028243 0.80 PRKAG1 (0.39) KMORXRAPRKAG1PRKAA1PRKAB1

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 KMO 3477/4885RXRA 783/4885PRKAG1 2822/4885

“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.