SCHEMBL11022524

SCHEMBL11022524

COC(=O)c1ccc2c(c1)C(C)(C)CC(c1cc(Br)ccc1Cl)N2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.39
▸ PRKAB2 O43741 1/20 0.38
▸ PRKAG1 P54619 1/20 0.38
▸ PRKAA2 P54646 1/20 0.38
▸ PRKAA1 Q13131 1/20 0.38
▸ PRKAG3 Q9UGI9 1/20 0.38
▸ PRKAG2 Q9UGJ0 1/20 0.38
▸ PRKAB1 Q9Y478 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ F10 P00742 1/20 0.37
▸ F11 P03951 1/20 0.37
▸ F7 P08709 1/20 0.37
▸ IP6K1 Q92551 1/20 0.37
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ NQO2 P16083 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ RARB P10826 3/20 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
SCHEMBL45118 0.90 PRKAB2 (0.48) ALDH1A1PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL11026378 0.89 F10 (0.38) ALDH1A1PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL11029863 0.89 PRKAG1 (0.49) ALDH1A1PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL11026744 0.87 TSHR (0.37) ALDH1A1PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL45455 0.81 F11 (0.49) ALDH1A1MAPTNPSR1F10F11
SCHEMBL11024427 0.78 PRKAG1 (0.50) ALDH1A1PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL11025134 0.78 F7 (0.41) ALDH1A1PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL41867 0.78 PRKAG1 (0.62) ALDH1A1PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL11025117 0.77 F7 (0.42) ALDH1A1PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL11024397 0.77 PRKAG1 (0.45) ALDH1A1PRKAB2PRKAG1PRKAA2PRKAA1

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 ALDH1A1 785/4885PRKAB2 2943/4885PRKAG1 2822/4885

“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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