SCHEMBL11029499

SCHEMBL11029499

COC(=O)c1ccc2c(c1)C(C)(C)CC(c1cccc(N3CCN(C)CC3)c1)N2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F10 P00742 1/20 0.45
F11 P03951 1/20 0.45
F7 P08709 1/20 0.45
NPC1 O15118 1/20 0.39
MAPT P10636 3/20 0.39
TSHR P16473 2/20 0.39
GAA P10253 2/20 0.39
MAPK1 P28482 1/20 0.39
HTR7 P34969 1/20 0.39
PLOD2 O00469 1/20 0.39
PLOD3 O60568 1/20 0.39
PLOD1 Q02809 1/20 0.39
WDR5 P61964 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
HPGD P15428 1/20 0.38
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 2/20 0.37

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
SCHEMBL11025379 0.93 F10 (0.48) F10F11F7NPC1MAPT
SCHEMBL45781 0.90 F10 (0.45) F10F11F7NPC1MAPT
SCHEMBL11025237 0.90 F11 (0.44) F10F11F7GAAPLOD2
SCHEMBL11025195 0.89 F7 (0.45) F10F11F7PLOD2PLOD3
SCHEMBL11940903 0.84 SCN9A (0.38) F10F11F7NPC1PLOD2
SCHEMBL11025215 0.83 MRGPRX4 (0.43) F10F11F7NPC1MAPT
SCHEMBL11031637 0.82 SIRT6 (0.41) NPC1PLOD2PLOD3PLOD1MEN1
SCHEMBL11025706 0.82 KDM4E (0.49) F10F11F7GAAMEN1
SCHEMBL45455 0.81 F11 (0.49) F10F11F7NPC1MAPT
SCHEMBL11026014 0.81 F11 (0.48) F10F11F7GAAMEN1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8809369-B2 Tetrahydroquinoline derivatives HOFFMANN-LA ROCHE INC. (US) 2014-08-19 US disclosed
EP-2668165-A1 NOVEL TETRAHYDROQUINOLINE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2013-12-04 EP disclosed
WO-2012101068-A1 NOVEL TETRAHYDROQUINOLINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2012-08-02 WO disclosed
US-20120190677-A1 NOVEL TETRAHYDROQUINOLINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2012-07-26 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 (1 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-20120190677-A1 NOVEL TETRAHYDROQUINOLINE DERIVATIVES RAB1A, RABL3, RAB7A F10 2432/4885F11 2989/4885F7 2297/4885

“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.