SCHEMBL2532054

SCHEMBL2532054

CCOC(=O)c1ccc2c(c1)CC(C)(C)C(c1ccc(F)c(Br)c1)N2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABCC9 O60706 6/20 0.47
▸ KCNJ11 Q14654 6/20 0.47
▸ ABCC8 Q09428 5/20 0.47
▸ KCNJ8 Q15842 5/20 0.47
▸ AR P10275 1/20 0.38
▸ L3MBTL1 Q9Y468 3/20 0.38
▸ MEN1 O00255 3/20 0.38
▸ KMT2A Q03164 3/20 0.38
▸ KDM4E B2RXH2 3/20 0.38
▸ ALDH1A1 P00352 3/20 0.38
▸ POLB P06746 2/20 0.38
▸ MASP2 O00187 1/20 0.38
▸ GAPDH P04406 1/20 0.38
▸ HSPA1A P0DMV8 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ THRB P10828 1/20 0.38
▸ HSPA8 P11142 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ ALOX15 P16050 1/20 0.38
▸ NR4A1 P22736 1/20 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
SCHEMBL2531592 0.89 L3MBTL1 (0.46) ABCC9KCNJ11ABCC8KCNJ8AR
SCHEMBL2533356 0.88 SIRT2 (0.42) ARL3MBTL1MEN1KMT2AKDM4E
SCHEMBL2587428 0.86 ABCC9 (0.40) ABCC9KCNJ11ABCC8KCNJ8
SCHEMBL2536681 0.85 MEN1 (0.41) ABCC9KCNJ11ABCC8KCNJ8AR
SCHEMBL2535709 0.85 AR (0.41) ARL3MBTL1MEN1KMT2AKDM4E
SCHEMBL2538194 0.85 AR (0.38) ABCC9KCNJ11ABCC8KCNJ8AR
SCHEMBL2535778 0.84 MAPT (0.44) ARL3MBTL1MEN1KMT2AKDM4E
SCHEMBL2530836 0.83 AR (0.38) ARL3MBTL1MEN1KMT2AKDM4E
SCHEMBL2531858 0.83 AR (0.52) ARL3MBTL1MEN1KMT2AKDM4E
SCHEMBL2532365 0.82 AR (0.39) ARL3MBTL1MEN1KMT2AKDM4E

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 ABCC9 732/4885KCNJ11 285/4885ABCC8 635/4885
US-20130023518-A1 NOVEL 3,3-DIMETHYL TETRAHYDROQUINOLINE DERIVATIVES QDPR, PRMT3, PRMT1 ABCC9 732/4885KCNJ11 285/4885ABCC8 635/4885

“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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