SCHEMBL11027136

SCHEMBL11027136

CC1(C)CC(c2cccnc2)Nc2ccc(C(=O)O)cc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ F11 P03951 13/20 0.44
▸ F7 P08709 12/20 0.44
▸ F10 P00742 11/20 0.44
▸ PRKAB2 O43741 1/20 0.41
▸ PRKAG1 P54619 1/20 0.41
▸ PRKAA2 P54646 1/20 0.41
▸ PRKAA1 Q13131 1/20 0.41
▸ PRKAG3 Q9UGI9 1/20 0.41
▸ PRKAG2 Q9UGJ0 1/20 0.41
▸ PRKAB1 Q9Y478 1/20 0.41
▸ KMO O15229 1/20 0.39
▸ RARA P10276 1/20 0.38
▸ RARB P10826 1/20 0.38
▸ RARG P13631 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ APP P05067 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ HCAR3 P49019 1/20 0.38
▸ HCAR2 Q8TDS4 1/20 0.38
▸ MKNK1 Q9BUB5 1/20 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
SCHEMBL11029252 0.90 F7 (0.45) F11F7F10MKNK1MKNK2
SCHEMBL11029204 0.88 F10 (0.46) F11F7F10ALDH1A1GAA
SCHEMBL11024812 0.84 IP6K1 (0.41) F11F7F10ALDH1A1
SCHEMBL11940885 0.82 SCN9A (0.48) F11F7F10
SCHEMBL11025007 0.81 F11 (0.54) F11F7F10
SCHEMBL11024140 0.80 F11 (0.47) F11F7F10GAA
SCHEMBL11028551 0.79 F11 (0.47) F11F7F10PRKAB2PRKAG1
SCHEMBL11026001 0.79 F11 (0.47) F11F7F10PRKAB2PRKAG1
SCHEMBL11028722 0.79 F11 (0.53) F11F7F10PRKAB2PRKAG1
SCHEMBL11025182 0.79 F11 (0.40) F11F7F10PRKAB2PRKAG1

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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