SCHEMBL2531753

SCHEMBL2531753

CCOC(=O)c1ccc2c(c1)CC(C)(C)C(c1cc(F)cc(-c3ccc(C#N)cc3)c1)N2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGR P06401 8/20 0.44
L3MBTL1 Q9Y468 3/20 0.37
ELANE P08246 2/20 0.36
CYP2C9 P11712 1/20 0.36
HRH2 P25021 1/20 0.35
HRH1 P35367 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35
AR P10275 3/20 0.35
ALDH1A1 P00352 3/20 0.34
KMT2A Q03164 3/20 0.34
MEN1 O00255 2/20 0.34
POLB P06746 2/20 0.34
KDM4E B2RXH2 2/20 0.34
MASP2 O00187 1/20 0.34
GAPDH P04406 1/20 0.34
HSPA1A P0DMV8 1/20 0.34
MAPT P10636 1/20 0.34
THRB P10828 1/20 0.34
HSPA8 P11142 1/20 0.34
HPGD P15428 1/20 0.34

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
SCHEMBL2533675 0.88 PGR (0.39) PGRARNR3C1NR3C2
SCHEMBL2538230 0.87 AR (0.35) PGRL3MBTL1ARALDH1A1KMT2A
SCHEMBL2535709 0.87 AR (0.41) L3MBTL1ARALDH1A1KMT2AMEN1
SCHEMBL2538194 0.82 AR (0.38) L3MBTL1ARALDH1A1KMT2AMEN1
SCHEMBL15509909 0.82 PGR (0.39) PGRARNR3C1NR3C2
SCHEMBL2530590 0.81 HSD17B10 (0.38) L3MBTL1ARALDH1A1KMT2AMEN1
SCHEMBL2532955 0.81 ALDH1A1 (0.40) L3MBTL1ARALDH1A1KMT2AMEN1
SCHEMBL2535035 0.79 BCL9 (0.37) L3MBTL1ARALDH1A1KMT2AMEN1
SCHEMBL2531386 0.79 SIRT2 (0.40) L3MBTL1ARALDH1A1KMT2AMEN1
SCHEMBL2532748 0.77 AR (0.43) L3MBTL1ARALDH1A1KMT2AMEN1

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 PGR 2600/4885L3MBTL1 4088/4885ELANE 4407/4885
US-20130023518-A1 NOVEL 3,3-DIMETHYL TETRAHYDROQUINOLINE DERIVATIVES QDPR, PRMT3, PRMT1 PGR 2600/4885L3MBTL1 4088/4885ELANE 4407/4885

“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.