SCHEMBL2530573

SCHEMBL2530573

CCOC(=O)c1ccc2c(c1)CC(C)(C)C(c1cc(F)cc(N3CCN(C(C)C)CC3)c1)N2

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
MAPT P10636 4/20 0.36
DPP4 P27487 1/20 0.34
DPP8 Q6V1X1 1/20 0.34
DPP9 Q86TI2 1/20 0.34
DPP7 Q9UHL4 1/20 0.34
AR P10275 1/20 0.34
RARA P10276 1/20 0.34
RARB P10826 1/20 0.34
HPGD P15428 3/20 0.33
KDM4E B2RXH2 2/20 0.33
MEN1 O00255 2/20 0.33
POLB P06746 2/20 0.33
KMT2A Q03164 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
LMNA P02545 2/20 0.33
ALDH1A1 P00352 2/20 0.33
THRB P10828 2/20 0.33
MASP2 O00187 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
SCHEMBL2531386 0.91 SIRT2 (0.40) GAAMAPTDPP4DPP8DPP9
SCHEMBL2535035 0.89 BCL9 (0.37) GAAMAPTDPP4DPP8DPP9
SCHEMBL2532874 0.88 TTR (0.37) GAAHRH3MAPTKDM4EMEN1
SCHEMBL2535709 0.85 AR (0.41) MAPTARHPGDKDM4EMEN1
SCHEMBL2531771 0.83 HDAC4 (0.34)
SCHEMBL2531318 0.82 HSD17B10 (0.41) GAAMAPTHPGDKDM4ELMNA
SCHEMBL2532955 0.81 ALDH1A1 (0.40) GAAMAPTARHPGDKDM4E
SCHEMBL2538194 0.81 AR (0.38) MAPTARHPGDKDM4EMEN1
SCHEMBL2535104 0.80 SIRT2 (0.44) GAAMAPTHPGDKDM4EMEN1
SCHEMBL2534296 0.80 LMNA (0.41) MAPTARMEN1KMT2ALMNA

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 GAA 3991/4885HRH3 87/4885MAPT 3094/4885
US-20130023518-A1 NOVEL 3,3-DIMETHYL TETRAHYDROQUINOLINE DERIVATIVES QDPR, PRMT3, PRMT1 GAA 3991/4885HRH3 87/4885MAPT 3094/4885

“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.