SCHEMBL11025182

SCHEMBL11025182

CC(C)(C)c1ccc(-c2cncc(C3CC(C)(C)c4cc(C(=O)O)ccc4N3)c2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ F11 P03951 10/20 0.40
▸ F10 P00742 8/20 0.40
▸ F7 P08709 8/20 0.40
▸ XDH P47989 2/20 0.37
▸ RARA P10276 1/20 0.36
▸ RARB P10826 1/20 0.36
▸ RARG P13631 1/20 0.36
▸ RXRA P19793 3/20 0.36
▸ RXRB P28702 3/20 0.36
▸ RXRG P48443 1/20 0.36
▸ PRKAB2 O43741 1/20 0.36
▸ PRKAG1 P54619 1/20 0.36
▸ PRKAA2 P54646 1/20 0.36
▸ PRKAA1 Q13131 1/20 0.36
▸ PRKAG3 Q9UGI9 1/20 0.36
▸ PRKAG2 Q9UGJ0 1/20 0.36
▸ PRKAB1 Q9Y478 1/20 0.36
▸ SLC22A12 Q96S37 1/20 0.35
▸ CCKAR P32238 1/20 0.35
▸ CCKBR P32239 1/20 0.35

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
SCHEMBL11028154 0.92 MKNK1 (0.42) F11F10F7MKNK1MKNK2
SCHEMBL11024143 0.87 MAP4K4 (0.35) F11F10F7CCKARCCKBR
SCHEMBL11023687 0.87 F11 (0.50) F11F10F7RARARARB
SCHEMBL11940913 0.85 SCN9A (0.37) F11F10F7
SCHEMBL11027136 0.79 F11 (0.44) F11F10F7RARARARB
SCHEMBL11025278 0.78 F11 (0.51) F11F10F7
SCHEMBL2531691 0.77 CHEK1 (0.36) XDHRARARARBRARGRXRA
SCHEMBL11028151 0.76 F10 (0.32) F11F10F7XDHMKNK1
SCHEMBL11025475 0.75 KMO (0.40) F11F10F7RARARARB
SCHEMBL11025597 0.75 F11 (0.42) 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.

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