SCHEMBL11940913

SCHEMBL11940913

CC(C)(C)c1ccc(-c2cncc(C3CC(C)(C)c4cc(C(=O)NS(=O)(=O)C5CC5)ccc4N3)c2)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SCN9A Q15858 7/20 0.37
▸ SCN5A Q14524 3/20 0.37
▸ SCN2B O60939 4/20 0.37
▸ SCN1B Q07699 4/20 0.37
▸ SCN1A P35498 2/20 0.37
▸ IP6K1 Q92551 1/20 0.37
▸ CTPS1 P17812 6/20 0.35
▸ MGAT2 Q10469 1/20 0.34
▸ EPHX2 P34913 1/20 0.34
▸ NR1H4 Q96RI1 1/20 0.34
▸ HDAC3 O15379 1/20 0.34
▸ HDAC4 P56524 1/20 0.34
▸ HDAC1 Q13547 1/20 0.34
▸ HDAC2 Q92769 1/20 0.34
▸ HDAC8 Q9BY41 1/20 0.34
▸ HDAC6 Q9UBN7 1/20 0.34
▸ HDAC9 Q9UKV0 1/20 0.34
▸ F10 P00742 1/20 0.34
▸ F11 P03951 1/20 0.34
▸ F7 P08709 1/20 0.34

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
SCHEMBL11024143 0.91 MAP4K4 (0.35) SCN9ASCN5AIP6K1MGAT2EPHX2
SCHEMBL11940894 0.89 F11 (0.42) SCN9ASCN5AMGAT2EPHX2NR1H4
SCHEMBL11025182 0.85 F11 (0.40) F10F11F7
SCHEMBL11028154 0.84 MKNK1 (0.42) F10F11F7
SCHEMBL11940885 0.82 SCN9A (0.48) SCN9ASCN5ASCN2BSCN1BSCN1A
SCHEMBL11024877 0.80 CASR (0.37) F10F11F7
SCHEMBL11024124 0.79 F11 (0.43) SCN9AF10F11F7
SCHEMBL11940904 0.79 SCN9A (0.40) SCN9ASCN5ASCN2BSCN1BSCN1A
SCHEMBL11940891 0.77 SCN9A (0.42) SCN9ASCN5ASCN2BSCN1BSCN1A
SCHEMBL11940899 0.76 F11 (0.42) SCN9AIP6K1F10F11F7

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 5 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
US-8809369-B2 Tetrahydroquinoline derivatives HOFFMANN-LA ROCHE INC. (US) 2014-08-19 — — US 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

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 SCN9A 1420/4885SCN5A 971/4885SCN2B 741/4885

“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.

Send feedback