SCHEMBL2532336

SCHEMBL2532336

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

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.46
MAPT P10636 3/20 0.44
KDM4E B2RXH2 2/20 0.44
ALDH1A1 P00352 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
PKM P14618 1/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A3 Q01959 1/20 0.41
KMT2A Q03164 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
PDE1C Q14123 1/20 0.39
HPGD P15428 1/20 0.39
TSHR P16473 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
NPC1 O15118 1/20 0.39
CACNA1B Q00975 1/20 0.39
LMNA P02545 1/20 0.39
ATM Q13315 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
SCHEMBL2534189 0.89 RAB9A (0.43) RAB9AMAPTALDH1A1SMN1; SMN2PKM
SCHEMBL2532907 0.88 AR (0.44) RAB9AMAPTKDM4EALDH1A1SMN1; SMN2
SCHEMBL2533556 0.87 ALDH1A1 (0.41) RAB9AMAPTKDM4EALDH1A1SMN1; SMN2
SCHEMBL27905200 0.87 RAB9A (0.42) RAB9APKMSLC6A2SLC6A3KMT2A
SCHEMBL2530168 0.84 ALDH1A1 (0.43) RAB9AMAPTKDM4EALDH1A1SMN1; SMN2
SCHEMBL2531549 0.84 RAB9A (0.45) RAB9AMAPTKDM4EALDH1A1SMN1; SMN2
SCHEMBL2531675 0.84 RAB9A (0.48) RAB9AMAPTKDM4EALDH1A1SMN1; SMN2
SCHEMBL2533058 0.83 MEN1 (0.40) RAB9AMAPTKDM4EALDH1A1SMN1; SMN2
SCHEMBL2534342 0.82 ALDH1A1 (0.57) RAB9AMAPTKDM4EALDH1A1SMN1; SMN2
SCHEMBL2568247 0.82 HTR7 (0.42) MAPTALDH1A1SMN1; SMN2KMT2AHPGD

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 3094/4885KDM4E 796/4885
US-20130023518-A1 NOVEL 3,3-DIMETHYL TETRAHYDROQUINOLINE DERIVATIVES QDPR, PRMT3, PRMT1 RAB9A 364/4885MAPT 3094/4885KDM4E 796/4885

“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.