SCHEMBL11024143

SCHEMBL11024143

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

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MAP4K4 O95819 1/20 0.35
▸ SCN9A Q15858 4/20 0.35
▸ IP6K1 Q92551 1/20 0.35
▸ F11 P03951 4/20 0.35
▸ F7 P08709 4/20 0.35
▸ F10 P00742 3/20 0.35
▸ CHEK1 O14757 1/20 0.35
▸ SCN5A Q14524 2/20 0.34
▸ PTPN1 P18031 1/20 0.34
▸ EPHX2 P34913 2/20 0.33
▸ HDAC6 Q9UBN7 1/20 0.33
▸ MGAT2 Q10469 1/20 0.32
▸ CCKAR P32238 1/20 0.32
▸ CCKBR P32239 1/20 0.32

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
SCHEMBL11940913 0.91 SCN9A (0.37) SCN9AIP6K1F11F7F10
SCHEMBL11024124 0.88 F11 (0.43) SCN9AF11F7F10PTPN1
SCHEMBL11025182 0.87 F11 (0.40) F11F7F10CCKARCCKBR
SCHEMBL11028154 0.86 MKNK1 (0.42) MAP4K4F11F7F10
SCHEMBL11024812 0.81 IP6K1 (0.41) SCN9AIP6K1F11F7F10
SCHEMBL11940894 0.79 F11 (0.42) SCN9AF11F7F10SCN5A
SCHEMBL11027051 0.78 CHEK1 (0.40) IP6K1CHEK1EPHX2HDAC6
SCHEMBL11025560 0.76 SCN9A (0.43) SCN9AF11F7F10SCN5A
SCHEMBL11025590 0.74 F11 (0.43) F11F7F10HDAC6
SCHEMBL11024311 0.74 MMP2 (0.38) SCN9AIP6K1CHEK1

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 13 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 claimed
EP-2668165-A1 NOVEL TETRAHYDROQUINOLINE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2013-12-04 — — EP claimed
WO-2012101068-A1 NOVEL TETRAHYDROQUINOLINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2012-08-02 — — WO claimed
US-20120190677-A1 NOVEL TETRAHYDROQUINOLINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2012-07-26 — — US claimed
US-8809369-B2 Tetrahydroquinoline derivatives HOFFMANN-LA ROCHE INC. (US) 2014-08-19 — — US disclosed
US-8809369-B2 Tetrahydroquinoline derivatives HOFFMANN-LA ROCHE INC. (US) 2014-08-19 — — US disclosed
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
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
US-20120190677-A1 NOVEL TETRAHYDROQUINOLINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2012-07-26 — — US 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 MAP4K4 2797/4885SCN9A 1420/4885IP6K1 3889/4885

“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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