SCHEMBL2531602

SCHEMBL2531602

CCOC(=O)c1ccc2c(c1)CC(C)(C)C(c1ccc(N3CCOCC3)cc1)N2

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 2/20 0.49
SIRT1 Q96EB6 2/20 0.49
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
PIK3CA P42336 1/20 0.45
MAPT P10636 4/20 0.43
GAA P10253 3/20 0.43
LMNA P02545 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
MAPK1 P28482 1/20 0.43
MC4R P32245 1/20 0.43
HTT P42858 1/20 0.43
CLK1 P49759 1/20 0.43
GSK3A P49840 1/20 0.43
GSK3B P49841 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
ALDH1A1 P00352 6/20 0.42
USP2 O75604 1/20 0.42
KDM4E B2RXH2 2/20 0.42

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
SCHEMBL2532337 0.91 SIRT2 (0.44) SIRT2SIRT1MEN1KMT2APIK3CA
SCHEMBL2535104 0.91 SIRT2 (0.44) SIRT2SIRT1MEN1KMT2APIK3CA
SCHEMBL2532909 0.90 SIRT2 (0.43) SIRT2SIRT1MEN1KMT2APIK3CA
SCHEMBL2533667 0.90 SIRT2 (0.45) SIRT2SIRT1MEN1KMT2APIK3CA
SCHEMBL2532901 0.90 MAPT (0.43) SIRT2SIRT1MEN1KMT2APIK3CA
SCHEMBL2537484 0.88 SIRT2 (0.45) SIRT2SIRT1MEN1KMT2APIK3CA
SCHEMBL2527895 0.88 PIK3CA (0.41) SIRT2SIRT1MEN1KMT2APIK3CA
SCHEMBL2530068 0.86 KMO (0.44) MEN1KMT2APIK3CAMAPTGAA
SCHEMBL14331270 0.85 MAPT (0.40) MEN1KMT2AMAPTMAPK1GSK3B
SCHEMBL2533356 0.84 SIRT2 (0.42) SIRT2MEN1KMT2AMAPTGAA

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 SIRT2 284/4885SIRT1 249/4885MEN1 353/4885
US-20130023518-A1 NOVEL 3,3-DIMETHYL TETRAHYDROQUINOLINE DERIVATIVES QDPR, PRMT3, PRMT1 SIRT2 284/4885SIRT1 249/4885MEN1 353/4885

“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.