SCHEMBL11025560

SCHEMBL11025560

CC1(C)CC(c2cccc(C(F)(F)F)c2)Nc2ccc(C(=O)NS(C)(=O)=O)cc21

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ SCN9A Q15858 7/20 0.43
▸ SCN5A Q14524 3/20 0.43
▸ SCN2B O60939 1/20 0.43
▸ SCN1A P35498 1/20 0.43
▸ SCN1B Q07699 1/20 0.43
▸ F11 P03951 5/20 0.40
▸ F7 P08709 5/20 0.40
▸ KLRK1 P26718 1/20 0.40
▸ MICA Q29983 1/20 0.40
▸ RAET1L Q5VY80 1/20 0.40
▸ HDAC8 Q9BY41 2/20 0.40
▸ PTPN1 P18031 1/20 0.39
▸ MRGPRX4 Q96LA9 1/20 0.39
▸ F10 P00742 4/20 0.39
▸ GUSB P08236 1/20 0.39
▸ CCR2 P41597 1/20 0.37
▸ PPARG P37231 1/20 0.36

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
SCHEMBL11940891 0.90 SCN9A (0.42) SCN9ASCN5ASCN2BSCN1ASCN1B
SCHEMBL11027843 0.86 F11 (0.42) SCN9AF11F7HDAC8F10
SCHEMBL11026001 0.85 F11 (0.47) F11F7F10GUSBCCR2
SCHEMBL12687224 0.85 F10 (0.39) F11F7HDAC8F10GUSB
SCHEMBL11023614 0.85 F7 (0.45) F11F7F10
SCHEMBL11028638 0.84 F11 (0.47) F11F7F10GUSB
SCHEMBL11028289 0.84 SCN2B (0.43) SCN9ASCN5ASCN2BSCN1ASCN1B
SCHEMBL11024124 0.84 F11 (0.43) SCN9AF11F7PTPN1F10
SCHEMBL11026899 0.83 F11 (0.45) SCN9AF11F7F10
SCHEMBL12466206 0.83 F11 (0.40) SCN9ASCN5AF11F7F10

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 12 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
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 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.

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