SCHEMBL11025530

SCHEMBL11025530

CCOC(=O)c1ccc2c(c1)C(C)(C)CC(c1cc(N3CCOCC3)ccc1Cl)N2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 1/20 0.45
SIRT1 Q96EB6 1/20 0.45
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
PIK3CA P42336 1/20 0.41
MAPT P10636 6/20 0.40
GAA P10253 4/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
MAPK1 P28482 2/20 0.40
HTT P42858 2/20 0.40
LMNA P02545 2/20 0.40
MC4R P32245 1/20 0.40
CLK1 P49759 1/20 0.40
GSK3A P49840 1/20 0.40
GSK3B P49841 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
LGMN Q99538 1/20 0.40
JMJD6 Q6NYC1 1/20 0.38
ALDH1A1 P00352 3/20 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
SCHEMBL11028969 0.92 SIRT2 (0.46) SIRT2SIRT1MEN1KMT2APIK3CA
SCHEMBL11029425 0.91 SIRT2 (0.47) SIRT2SIRT1MEN1KMT2APIK3CA
SCHEMBL11027325 0.88 PRKAG1 (0.43) MEN1KMT2AMAPTGAASMN1; SMN2
SCHEMBL11028243 0.87 PRKAG1 (0.39) MEN1KMT2AMAPTGAASMN1; SMN2
SCHEMBL11025840 0.83 EPHX2 (0.42) MEN1KMT2AMAPTGAASMN1; SMN2
SCHEMBL11028354 0.82 SIRT2 (0.45) SIRT2SIRT1MEN1KMT2APIK3CA
SCHEMBL11940888 0.81 SCN9A (0.39) MEN1KMT2AMAPTGAASMN1; SMN2
SCHEMBL11024487 0.80 KMO (0.42) SIRT2SIRT1MEN1KMT2AMAPT
SCHEMBL11025981 0.80 KMO (0.43) MEN1KMT2APIK3CAMAPTGAA
SCHEMBL11025344 0.79 PRKAG1 (0.39) SIRT2SIRT1MEN1KMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8809369-B2 Tetrahydroquinoline derivatives HOFFMANN-LA ROCHE INC. (US) 2014-08-19 US disclosed
EP-2668165-A1 NOVEL TETRAHYDROQUINOLINE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2013-12-04 EP disclosed
WO-2012101068-A1 NOVEL TETRAHYDROQUINOLINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2012-08-02 WO disclosed
US-20120190677-A1 NOVEL TETRAHYDROQUINOLINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2012-07-26 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 (1 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-20120190677-A1 NOVEL TETRAHYDROQUINOLINE DERIVATIVES RAB1A, RABL3, RAB7A SIRT2 1638/4885SIRT1 1302/4885MEN1 487/4885

“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.