SCHEMBL11027705

SCHEMBL11027705

CN(C)c1cccc(C2CC(C)(C)c3cc(Cl)cc(C(=O)O)c3N2)c1

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ F11 P03951 13/20 0.35
▸ F7 P08709 12/20 0.35
▸ F10 P00742 10/20 0.35
▸ KDM4E B2RXH2 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ GFER P55789 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ HTT P42858 1/20 0.33
▸ PRKAG1 P54619 1/20 0.32
▸ PRKAA1 Q13131 1/20 0.32
▸ PRKAB1 Q9Y478 1/20 0.32
▸ BRD4 O60885 1/20 0.32
▸ CREBBP Q92793 1/20 0.32
▸ TP53 P04637 1/20 0.32
▸ MDM2 Q00987 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
SCHEMBL11031120 0.91 F11 (0.34) F11F7F10KDM4EALDH1A1
SCHEMBL11940909 0.84 AURKA (0.37) KDM4EGFERTP53MDM2
SCHEMBL11021499 0.81 ALDH1A1 (0.39) F11F7F10KDM4EMEN1
SCHEMBL2137124 0.80 F11 (0.35) F11F7F10KDM4EMEN1
SCHEMBL2137229 0.80 F11 (0.34) F11F7F10KDM4EMEN1
SCHEMBL11026364 0.79 CYP2C19 (0.43) MEN1ALDH1A1GAAMAPTKMT2A
SCHEMBL11028093 0.79 PARP1 (0.32) F11F7F10GAA
SCHEMBL11027034 0.77 PRKAG1 (0.41) MEN1ALDH1A1MAPTKMT2APRKAG1
SCHEMBL2138997 0.75 TSHR (0.39) F11F7F10KDM4EMEN1
SCHEMBL11031117 0.74 HTT (0.31) HTT

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 2989/4885F7 2297/4885F10 2432/4885

“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.

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