SCHEMBL11023402

SCHEMBL11023402

CCOC(=O)c1ccc2c(c1)C(C)(C)CC(c1cccc(C#N)c1)N2

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
F11 P03951 6/20 0.45
F10 P00742 4/20 0.45
F7 P08709 4/20 0.45
L3MBTL1 Q9Y468 1/20 0.41
CACNA1F O60840 1/20 0.40
CACNA1D Q01668 1/20 0.40
CACNA1S Q13698 1/20 0.40
CACNA1C Q13936 1/20 0.40
ELANE P08246 1/20 0.40
CYP2C9 P11712 1/20 0.40
AR P10275 1/20 0.40
GRM5 P41594 3/20 0.39
PGR P06401 1/20 0.37
AKR1B1 P15121 1/20 0.37
DHFR P00374 1/20 0.36
KIF11 P52732 1/20 0.36
CYP1A2 P05177 1/20 0.36
RARA P10276 1/20 0.36
RARB P10826 1/20 0.36

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
SCHEMBL11028722 0.86 F11 (0.53) F11F10F7PGRRARA
SCHEMBL11024163 0.85 F10 (0.47) F11F10F7CYP2C9AR
SCHEMBL11024121 0.85 TP53 (0.44) F11F10F7L3MBTL1AR
SCHEMBL11024600 0.85 F11 (0.45) F11F10F7L3MBTL1AR
SCHEMBL11024205 0.85 F11 (0.52) F11F10F7PGR
SCHEMBL11027270 0.84 CACNA1F (0.46) F11F10F7CACNA1FCACNA1D
SCHEMBL11026020 0.83 AR (0.40) F11F10F7ARAKR1B1
SCHEMBL11023670 0.83 F10 (0.46) F11F10F7ARAKR1B1
SCHEMBL11027217 0.81 SMYD3 (0.41) F11F10F7AR
SCHEMBL11026899 0.80 F11 (0.45) F11F10F7

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 F11 2989/4885F10 2432/4885F7 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.