SCHEMBL11024812

SCHEMBL11024812

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IP6K1 Q92551 1/20 0.41
▸ F11 P03951 4/20 0.38
▸ F7 P08709 4/20 0.38
▸ CSNK2A2 P19784 1/20 0.38
▸ CSNK2B P67870 1/20 0.38
▸ CSNK2A1 P68400 1/20 0.38
▸ CSNK2A3 Q8NEV1 1/20 0.38
▸ NAMPT P43490 1/20 0.38
▸ SCN9A Q15858 6/20 0.37
▸ SCN3A Q9NY46 2/20 0.37
▸ F10 P00742 3/20 0.36
▸ HDAC1 Q13547 3/20 0.36
▸ HDAC6 Q9UBN7 3/20 0.36
▸ HDAC8 Q9BY41 2/20 0.36
▸ HDAC3 O15379 1/20 0.36
▸ HDAC11 Q96DB2 1/20 0.36
▸ SCN2B O60939 1/20 0.36
▸ SCN1B Q07699 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ SCN5A Q14524 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
SCHEMBL11940885 0.90 SCN9A (0.48) IP6K1F11F7SCN9AF10
SCHEMBL11027136 0.84 F11 (0.44) F11F7F10ALDH1A1
SCHEMBL11027843 0.84 F11 (0.42) IP6K1F11F7SCN9ASCN3A
SCHEMBL11029204 0.84 F10 (0.46) IP6K1F11F7CSNK2A1F10
SCHEMBL11023614 0.83 F7 (0.45) F11F7SCN3AF10
SCHEMBL11029252 0.83 F7 (0.45) F11F7F10
SCHEMBL11028289 0.83 SCN2B (0.43) F11F7SCN9ASCN3AF10
SCHEMBL12466206 0.82 F11 (0.40) IP6K1F11F7SCN9ASCN3A
SCHEMBL11025560 0.82 SCN9A (0.43) F11F7SCN9AF10HDAC8
SCHEMBL11026899 0.82 F11 (0.45) F11F7SCN9ASCN3AF10

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 IP6K1 3889/4885F11 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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