SCHEMBL2532888

SCHEMBL2532888

CCOC(=O)c1ccc2c(c1)CC(C)(C)C(c1cccc(N3CCN(c4ccc(Cl)cc4)CC3)c1)N2

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.46
GAA P10253 2/20 0.44
TP53 P04637 3/20 0.43
LMNA P02545 4/20 0.41
ALDH1A1 P00352 3/20 0.40
MAPK1 P28482 2/20 0.40
ALOX5 P09917 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
TSHR P16473 1/20 0.39
THRB P10828 1/20 0.38

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
SCHEMBL2534296 0.91 LMNA (0.41) MAPTTP53LMNAALDH1A1MAPK1
SCHEMBL2532337 0.90 SIRT2 (0.44) MAPTGAALMNAALDH1A1MAPK1
SCHEMBL2537182 0.89 AR (0.40) MAPTTP53LMNAALDH1A1MAPK1
SCHEMBL2533539 0.88 BCL2L1 (0.41) MAPTGAALMNAALDH1A1MEN1
SCHEMBL2527918 0.88 TP53 (0.43) MAPTTP53LMNAALDH1A1MAPK1
SCHEMBL2531393 0.86 MAPT (0.43) MAPTTP53LMNAALDH1A1MAPK1
SCHEMBL2531219 0.85 EPHX2 (0.42) MAPT
SCHEMBL2534199 0.84 AR (0.40) MAPTGAATP53LMNAALDH1A1
SCHEMBL2532909 0.84 SIRT2 (0.43) MAPTGAATP53LMNAALDH1A1
SCHEMBL2535731 0.84 ALDH1A1 (0.39) MAPTGAALMNAALDH1A1MAPK1

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 3094/4885GAA 3991/4885TP53 3756/4885
US-20130023518-A1 NOVEL 3,3-DIMETHYL TETRAHYDROQUINOLINE DERIVATIVES QDPR, PRMT3, PRMT1 MAPT 3094/4885GAA 3991/4885TP53 3756/4885

“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.