SCHEMBL2532901

SCHEMBL2532901

CCOC(=O)c1ccc2c(c1)CC(C)(C)C(c1cc(OC)cc(N3CCOCC3)c1)N2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.43
SIRT2 Q8IXJ6 1/20 0.43
SIRT1 Q96EB6 1/20 0.43
PIK3CA P42336 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
THRB P10828 1/20 0.40
LMNA P02545 6/20 0.39
POLB P06746 2/20 0.39
GAA P10253 2/20 0.39
HTT P42858 2/20 0.39
MAPK1 P28482 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
MC4R P32245 1/20 0.39
CLK1 P49759 1/20 0.39
GSK3A P49840 1/20 0.39
GSK3B P49841 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ALDH1A1 P00352 6/20 0.39

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
SCHEMBL2535104 0.92 SIRT2 (0.44) MAPTSIRT2SIRT1PIK3CAMEN1
SCHEMBL2532909 0.91 SIRT2 (0.43) MAPTSIRT2SIRT1PIK3CAMEN1
SCHEMBL2531602 0.90 SIRT2 (0.49) MAPTSIRT2SIRT1PIK3CAMEN1
SCHEMBL2530901 0.89 ALDH1A1 (0.40) MAPTMEN1KMT2ALMNAHTT
SCHEMBL2532337 0.88 SIRT2 (0.44) MAPTSIRT2SIRT1PIK3CAMEN1
SCHEMBL14331229 0.88 DRD2 (0.43) MAPTMEN1KMT2ALMNAHTT
SCHEMBL2533667 0.87 SIRT2 (0.45) MAPTSIRT2SIRT1PIK3CAMEN1
SCHEMBL15495121 0.84 ALDH1A1 (0.38) MAPTMEN1KMT2ALMNAPOLB
SCHEMBL2533662 0.84 ALDH1A1 (0.37) MAPTMEN1KMT2ALMNAPOLB
SCHEMBL2530056 0.83 GAA (0.39) MAPTSIRT2MEN1KMT2ATHRB

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2558449-B1 NOVEL 3,3-DIMETHYL TETRAHYDROQUINOLINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2014-03-05 EP disclosed
US-8586747-B2 3,3-dimethyl tetrahydroquinoline derivatives HOFFMANN-LA ROCHE INC. (US) 2013-11-19 US disclosed
EP-2558449-A1 NOVEL 3,3-DIMETHYL TETRAHYDROQUINOLINE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2013-02-20 EP disclosed
US-20130023518-A1 NOVEL 3,3-DIMETHYL TETRAHYDROQUINOLINE DERIVATIVES Hoffmann-La Roche Inc (US) 2013-01-24 US disclosed
US-8344137-B2 3,3-dimethyl tetrahydroquinoline derivatives HOFFMAN-LA ROCHE INC. (US) 2013-01-01 US disclosed
WO-2011128251-A1 NOVEL 3,3-DIMETHYL TETRAHYDROQUINOLINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2011-10-20 WO disclosed
US-20110257151-A1 NOVEL 3,3-DIMETHYL TETRAHYDROQUINOLINE DERIVATIVES HUA MEDICINE (KY) 2011-10-20 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 (2 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-20110257151-A1 NOVEL 3,3-DIMETHYL TETRAHYDROQUINOLINE DERIVATIVES QDPR, PRMT3, PRMT1 MAPT 3094/4885SIRT2 284/4885SIRT1 249/4885
US-20130023518-A1 NOVEL 3,3-DIMETHYL TETRAHYDROQUINOLINE DERIVATIVES QDPR, PRMT3, PRMT1 MAPT 3094/4885SIRT2 284/4885SIRT1 249/4885

“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.