SCHEMBL2532496

SCHEMBL2532496

CCOC(=O)c1ccc2c(c1)CC(C)(C)C(c1cccc(-n3nnnc3CC)c1)N2

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ AR P10275 1/20 0.37
▸ ATM Q13315 1/20 0.35
▸ TP53 P04637 4/20 0.33
▸ MAPT P10636 4/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ POLB P06746 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ L3MBTL1 Q9Y468 2/20 0.33
▸ LMNA P02545 2/20 0.33
▸ ALOX12 P18054 1/20 0.33
▸ ALOX5 P09917 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ MASP2 O00187 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ GAPDH P04406 1/20 0.33
▸ HSPA1A P0DMV8 1/20 0.33
▸ THRB P10828 1/20 0.33
▸ HSPA8 P11142 1/20 0.33
▸ HPGD P15428 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
SCHEMBL2538485 0.92 AR (0.38) SMN1; SMN2ARATMTP53MAPT
SCHEMBL2532333 0.90 TP53 (0.41) SMN1; SMN2TP53MEN1POLBKMT2A
SCHEMBL14331239 0.89 TP53 (0.34) SMN1; SMN2TP53L3MBTL1LMNAALDH1A1
SCHEMBL2535564 0.85 SCN9A (0.32) TP53LMNATACR1
SCHEMBL15510105 0.85 TACR1 (0.34) SMN1; SMN2TP53MAPTKMT2ALMNA
SCHEMBL2532053 0.83 SCN9A (0.35) SMN1; SMN2TACR1
SCHEMBL2534296 0.81 LMNA (0.41) SMN1; SMN2ARATMTP53MAPT
SCHEMBL2529406 0.81 TP53 (0.37) SMN1; SMN2TP53MEN1POLBKMT2A
SCHEMBL2537182 0.81 AR (0.40) SMN1; SMN2ARATMTP53MAPT
SCHEMBL2532337 0.80 SIRT2 (0.44) SMN1; SMN2ARMAPTMEN1KMT2A

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 SMN1; SMN2 1856/4885AR 1900/4885ATM 3556/4885
US-20130023518-A1 NOVEL 3,3-DIMETHYL TETRAHYDROQUINOLINE DERIVATIVES QDPR, PRMT3, PRMT1 SMN1; SMN2 1856/4885AR 1900/4885ATM 3556/4885

“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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