SCHEMBL2535580

SCHEMBL2535580

CCN1CCCC1N(C)C(=O)c1cccc(C2Nc3ccc(C(=O)OC)cc3CC2(C)C)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 4/20 0.36
ALOX15 P16050 2/20 0.34
HSD17B10 Q99714 1/20 0.34
KMT2A Q03164 4/20 0.34
ALDH1A1 P00352 4/20 0.34
MEN1 O00255 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
SLC10A2 Q12908 1/20 0.34
DRD2 P14416 1/20 0.33
CYP3A4 P08684 1/20 0.32
OPRD1 P41143 2/20 0.32
OPRM1 P35372 1/20 0.32
OPRK1 P41145 1/20 0.32
TSHR P16473 1/20 0.32
DRD3 P35462 1/20 0.32
F10 P00742 1/20 0.32
F11 P03951 1/20 0.32
F7 P08709 1/20 0.32
ROCK1 Q13464 1/20 0.32
HSD11B1 P28845 1/20 0.32

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
SCHEMBL2535624 0.91 CFB (0.34) ROCK2DRD3F11HSD11B1
SCHEMBL15510305 0.87 ALDH1A2 (0.32) ROCK2DRD3
SCHEMBL2535577 0.83 DRD2 (0.47) ROCK2HSD17B10KMT2AALDH1A1DRD2
SCHEMBL2582189 0.81 CHRNB2 (0.40) KMT2AALDH1A1MEN1SMN1; SMN2SLC10A2
SCHEMBL2533076 0.80 MEN1 (0.37) KMT2AALDH1A1MEN1SMN1; SMN2SLC10A2
SCHEMBL2532907 0.79 AR (0.44) ALOX15HSD17B10KMT2AALDH1A1MEN1
SCHEMBL2531427 0.78 EPHX2 (0.40) ROCK2KMT2AALDH1A1MEN1SMN1; SMN2
SCHEMBL2533556 0.77 ALDH1A1 (0.41) KMT2AALDH1A1MEN1SMN1; SMN2F10
SCHEMBL2532899 0.77 HPGD (0.41) ROCK2KMT2AALDH1A1MEN1
SCHEMBL2530168 0.77 ALDH1A1 (0.43) KMT2AALDH1A1MEN1SMN1; SMN2F10

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 ROCK2 1121/4885ALOX15 3749/4885HSD17B10 1984/4885
US-20130023518-A1 NOVEL 3,3-DIMETHYL TETRAHYDROQUINOLINE DERIVATIVES QDPR, PRMT3, PRMT1 ROCK2 1121/4885ALOX15 3749/4885HSD17B10 1984/4885

“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.