SCHEMBL11031120

SCHEMBL11031120

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

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ F11 P03951 10/20 0.34
▸ F7 P08709 10/20 0.34
▸ F10 P00742 9/20 0.34
▸ HTT P42858 1/20 0.32
▸ PDK2 Q15119 1/20 0.32
▸ IKBKB O14920 1/20 0.32
▸ BRD4 O60885 1/20 0.31
▸ CREBBP Q92793 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ GLA P06280 1/20 0.30
▸ GAA P10253 1/20 0.30
▸ MAP2 P11137 1/20 0.30
▸ USP2 O75604 1/20 0.30
▸ PARP1 P09874 1/20 0.30

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
SCHEMBL11027705 0.91 F11 (0.35) F11F7F10HTTBRD4
SCHEMBL11028093 0.88 PARP1 (0.32) F11F7F10IKBKBGAA
SCHEMBL11940909 0.83 AURKA (0.37) KDM4EUSP2
SCHEMBL11030190 0.82 HTR1A (0.36) F11F7F10KDM4EALDH1A1
SCHEMBL11025415 0.79 CYP2C19 (0.41) BRD4CREBBPALDH1A1MAP2PARP1
SCHEMBL11025280 0.77 PRKAG1 (0.37) F11F7F10ALDH1A1PARP1
SCHEMBL11031117 0.77 HTT (0.31) HTT
SCHEMBL11025566 0.75 MEN1 (0.37) HTTKDM4EALDH1A1GAA
SCHEMBL2138997 0.74 TSHR (0.39) F11F7F10PDK2KDM4E
SCHEMBL11021499 0.73 ALDH1A1 (0.39) F11F7F10KDM4EALDH1A1

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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