SCHEMBL2534316

SCHEMBL2534316

COC(=O)c1ccc2c(c1)C(O)C(C)(C)C(c1cccc(C(=O)OCc3ccccc3)c1)N2

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 6/20 0.46
▸ MAPT P10636 4/20 0.44
▸ SMN1; SMN2 Q16637 4/20 0.44
▸ ALDH1A1 P00352 4/20 0.44
▸ KDM4E B2RXH2 2/20 0.44
▸ SLC6A2 P23975 1/20 0.41
▸ SLC6A3 Q01959 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ SLC7A5 Q01650 1/20 0.40
▸ AR P10275 1/20 0.40
▸ PDE1C Q14123 1/20 0.39
▸ PKM P14618 1/20 0.39
▸ NPC1 O15118 4/20 0.39
▸ CACNA1B Q00975 1/20 0.39
▸ LMNA P02545 2/20 0.39
▸ HPGD P15428 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
SCHEMBL2531304 0.89 RAB9A (0.43) RAB9AMAPTSMN1; SMN2ALDH1A1SLC6A2
SCHEMBL2533326 0.88 AR (0.46) RAB9AMAPTSMN1; SMN2ALDH1A1KDM4E
SCHEMBL28800742 0.87 RAB9A (0.42) RAB9AMAPTSMN1; SMN2ALDH1A1KDM4E
SCHEMBL2537355 0.85 RAB9A (0.46) RAB9AMAPTSMN1; SMN2ALDH1A1KDM4E
SCHEMBL2533418 0.82 ALDH1A1 (0.44) RAB9AMAPTSMN1; SMN2ALDH1A1KDM4E
SCHEMBL2529481 0.82 AR (0.54) RAB9AMAPTSMN1; SMN2ALDH1A1KDM4E
SCHEMBL2532336 0.81 RAB9A (0.46) RAB9AMAPTSMN1; SMN2ALDH1A1KDM4E
SCHEMBL27905298 0.79 RAB9A (0.43) RAB9ASMN1; SMN2ALDH1A1KDM4ESLC6A2
SCHEMBL2531835 0.78 AR (0.46) MAPTALDH1A1KDM4EKMT2AAR
SCHEMBL2533964 0.77 AR (0.35) MAPTSMN1; SMN2ALDH1A1KDM4EKMT2A

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 RAB9A 364/4885MAPT 3094/4885SMN1; SMN2 1856/4885
US-20130023518-A1 NOVEL 3,3-DIMETHYL TETRAHYDROQUINOLINE DERIVATIVES QDPR, PRMT3, PRMT1 RAB9A 364/4885MAPT 3094/4885SMN1; SMN2 1856/4885

“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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