SCHEMBL2532337

SCHEMBL2532337

CCOC(=O)c1ccc2c(c1)CC(C)(C)C(c1cccc(N3CCOCC3)c1)N2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 1/20 0.44
SIRT1 Q96EB6 1/20 0.44
JMJD6 Q6NYC1 1/20 0.43
PIK3CA P42336 1/20 0.43
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
RXFP1 Q9HBX9 1/20 0.40
CYP2C19 P33261 1/20 0.40
ALDH1A1 P00352 5/20 0.40
LMNA P02545 4/20 0.40
KDM4E B2RXH2 2/20 0.40
GAA P10253 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
MAPT P10636 2/20 0.40
MAPK1 P28482 2/20 0.40
MC4R P32245 1/20 0.40
HTT P42858 1/20 0.40
CLK1 P49759 1/20 0.40
GSK3A P49840 1/20 0.40
GSK3B P49841 1/20 0.40

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) MEN1KMT2ARXFP1ALDH1A1LMNA
SCHEMBL2531602 0.91 SIRT2 (0.49) SIRT2SIRT1PIK3CAMEN1KMT2A
SCHEMBL2537182 0.90 AR (0.40) MEN1KMT2ARXFP1ALDH1A1LMNA
SCHEMBL2532888 0.90 MAPT (0.46) MEN1KMT2AALDH1A1LMNAGAA
SCHEMBL2535104 0.90 SIRT2 (0.44) SIRT2SIRT1JMJD6PIK3CAMEN1
SCHEMBL2532909 0.89 SIRT2 (0.43) SIRT2SIRT1JMJD6PIK3CAMEN1
SCHEMBL2532901 0.88 MAPT (0.43) SIRT2SIRT1PIK3CAMEN1KMT2A
SCHEMBL2533667 0.88 SIRT2 (0.45) SIRT2SIRT1JMJD6PIK3CAMEN1
SCHEMBL2527918 0.87 TP53 (0.43) RXFP1ALDH1A1LMNASMN1; SMN2MAPT
SCHEMBL2530141 0.87 KMO (0.52) MEN1KMT2ACYP2C19ALDH1A1LMNA

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 249/4885JMJD6 758/4885
US-20130023518-A1 NOVEL 3,3-DIMETHYL TETRAHYDROQUINOLINE DERIVATIVES QDPR, PRMT3, PRMT1 SIRT2 284/4885SIRT1 249/4885JMJD6 758/4885

“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.