SCHEMBL11025523

SCHEMBL11025523

CCOC(=O)c1ccc2c(c1)C(C)(C)CC(c1cccc(-c3nnnn3C)c1)N2

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ F11 P03951 14/20 0.40
▸ F7 P08709 12/20 0.40
▸ F10 P00742 11/20 0.40
▸ AKR1B1 P15121 1/20 0.37
▸ AR P10275 1/20 0.36
▸ RARA P10276 1/20 0.36
▸ RARB P10826 1/20 0.36
▸ CASR P41180 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
SCHEMBL11025018 0.90 F11 (0.41) F11F7F10AR
SCHEMBL11024232 0.89 F11 (0.47) F11F7F10
SCHEMBL11025548 0.88 F11 (0.48) F11F7F10
SCHEMBL11026625 0.84 F11 (0.41) F11F7F10
SCHEMBL11940896 0.82 F11 (0.38) F11F7F10
SCHEMBL11025597 0.80 F11 (0.42) F11F7F10ARCASR
SCHEMBL11024121 0.80 TP53 (0.44) F11F7F10AKR1B1AR
SCHEMBL11024163 0.80 F10 (0.47) F11F7F10AKR1B1AR
SCHEMBL11024600 0.80 F11 (0.45) F11F7F10AR
SCHEMBL11024947 0.79 TP53 (0.41) F11F7F10RARARARB

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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