SCHEMBL11029204

SCHEMBL11029204

COC(=O)c1ccc2c(c1)C(C)(C)CC(c1cccnc1)N2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ F10 P00742 1/20 0.46
▸ F11 P03951 1/20 0.46
▸ F7 P08709 1/20 0.46
▸ ALDH1A1 P00352 3/20 0.45
▸ MEN1 O00255 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ CYP19A1 P11511 1/20 0.43
▸ CYP11B1 P15538 1/20 0.43
▸ CYP11B2 P19099 1/20 0.43
▸ HTT P42858 2/20 0.42
▸ HPGD P15428 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ SLC2A1 P11166 1/20 0.39
▸ ALPL P05186 1/20 0.39
▸ IP6K1 Q92551 1/20 0.38
▸ ABL1 P00519 1/20 0.38
▸ BCR P11274 1/20 0.38
▸ SRC P12931 1/20 0.38

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
SCHEMBL11027136 0.88 F11 (0.44) F10F11F7ALDH1A1GAA
SCHEMBL11029252 0.87 F7 (0.45) F10F11F7
SCHEMBL11024812 0.84 IP6K1 (0.41) F10F11F7ALDH1A1IP6K1
SCHEMBL45455 0.83 F11 (0.49) F10F11F7ALDH1A1MEN1
SCHEMBL11940885 0.81 SCN9A (0.48) F10F11F7IP6K1
SCHEMBL11024163 0.81 F10 (0.47) F10F11F7ALDH1A1MEN1
SCHEMBL11025379 0.79 F10 (0.48) F10F11F7MEN1KMT2A
SCHEMBL11029499 0.77 F10 (0.45) F10F11F7ALDH1A1MEN1
SCHEMBL11024427 0.77 PRKAG1 (0.50) F10F11F7ALDH1A1MEN1
SCHEMBL11025134 0.77 F7 (0.41) F10F11F7ALDH1A1MEN1

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 F10 2432/4885F11 2989/4885F7 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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