SCHEMBL2527917

SCHEMBL2527917

COC(=O)c1ccc2c(c1)CC(C)(C)C(c1cccc(OC(C)(C)C(=O)OC)c1)N2

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ BCL9 O00512 1/20 0.36
▸ CTNNB1 P35222 1/20 0.36
▸ MDH1 P40925 2/20 0.35
▸ MDH2 P40926 2/20 0.35
▸ F10 P00742 1/20 0.34
▸ F11 P03951 1/20 0.34
▸ F7 P08709 1/20 0.34
▸ AR P10275 1/20 0.33
▸ CHRNB2 P17787 1/20 0.33
▸ CHRNA4 P43681 1/20 0.33
▸ KDM4E B2RXH2 2/20 0.33
▸ GAA P10253 2/20 0.33
▸ GLA P06280 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ MAPK1 P28482 1/20 0.33

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
SCHEMBL2535027 0.87 ALDH1A1 (0.44) MEN1ALDH1A1KMT2ASMN1; SMN2KDM4E
SCHEMBL2531578 0.84 BCL9 (0.37) BCL9CTNNB1
SCHEMBL2533556 0.82 ALDH1A1 (0.41) MEN1ALDH1A1KMT2ASMN1; SMN2F10
SCHEMBL2533964 0.81 AR (0.35) MEN1ALDH1A1KMT2ASMN1; SMN2BCL9
SCHEMBL2530168 0.81 ALDH1A1 (0.43) MEN1ALDH1A1KMT2ASMN1; SMN2F10
SCHEMBL2533669 0.81 ALDH1A1 (0.41) MEN1ALDH1A1KMT2ASMN1; SMN2F10
SCHEMBL2533058 0.81 MEN1 (0.40) MEN1ALDH1A1KMT2ASMN1; SMN2F10
SCHEMBL2531679 0.80 ALDH1A1 (0.39) MEN1ALDH1A1KMT2ASMN1; SMN2AR
SCHEMBL2532907 0.80 AR (0.44) MEN1ALDH1A1KMT2ASMN1; SMN2AR
SCHEMBL2538148 0.79 BRD4 (0.39) MEN1ALDH1A1KMT2ASMN1; SMN2F10

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 MEN1 353/4885ALDH1A1 552/4885KMT2A 661/4885
US-20130023518-A1 NOVEL 3,3-DIMETHYL TETRAHYDROQUINOLINE DERIVATIVES QDPR, PRMT3, PRMT1 MEN1 353/4885ALDH1A1 552/4885KMT2A 661/4885

“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.

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