SCHEMBL2533076

SCHEMBL2533076

CCN(OC)C(=O)c1cccc(C2Nc3ccc(C(=O)OC)cc3CC2(C)C)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
ALDH1A1 P00352 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
SLC10A2 Q12908 1/20 0.35
KDM4E B2RXH2 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
MAPK1 P28482 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
F10 P00742 1/20 0.34
F11 P03951 1/20 0.34
F7 P08709 1/20 0.34
SLC7A5 Q01650 1/20 0.33
AR P10275 2/20 0.33
CACNA1B Q00975 1/20 0.33
CHRNB2 P17787 1/20 0.33
CHRNA4 P43681 1/20 0.33
LMNA P02545 1/20 0.33
OPRM1 P35372 2/20 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
SCHEMBL2532907 0.85 AR (0.44) MEN1KMT2AALDH1A1SMN1; SMN2KDM4E
SCHEMBL2533556 0.84 ALDH1A1 (0.41) MEN1KMT2AALDH1A1SMN1; SMN2KDM4E
SCHEMBL2530168 0.83 ALDH1A1 (0.43) MEN1KMT2AALDH1A1SMN1; SMN2KDM4E
SCHEMBL2582189 0.83 CHRNB2 (0.40) MEN1KMT2AALDH1A1SMN1; SMN2SLC10A2
SCHEMBL2533058 0.82 MEN1 (0.40) MEN1KMT2AALDH1A1SMN1; SMN2KDM4E
SCHEMBL2535027 0.81 ALDH1A1 (0.44) MEN1KMT2AALDH1A1SMN1; SMN2KDM4E
SCHEMBL2533669 0.81 ALDH1A1 (0.41) MEN1KMT2AALDH1A1SMN1; SMN2KDM4E
SCHEMBL2538148 0.81 BRD4 (0.39) MEN1KMT2AALDH1A1SMN1; SMN2KDM4E
SCHEMBL2532336 0.80 RAB9A (0.46) KMT2AALDH1A1SMN1; SMN2KDM4EMAPT
SCHEMBL2527932 0.80 HPGD (0.44) MEN1KMT2AALDH1A1SMN1; SMN2KDM4E

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

“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.