SCHEMBL11029154

SCHEMBL11029154

Cc1ccc(N2CCN(c3cccc(C4CC(C)(C)c5cc(F)cc(C(=O)NS(C)(=O)=O)c5N4)c3)CC2)cc1

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ SCN2B O60939 3/20 0.35
▸ SCN1B Q07699 3/20 0.35
▸ SCN5A Q14524 3/20 0.35
▸ SCN9A Q15858 3/20 0.35
▸ MAPT P10636 5/20 0.34
▸ LMNA P02545 3/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ SCN1A P35498 1/20 0.33
▸ DRD4 P21917 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ NR1H2 P55055 2/20 0.32
▸ NR1H3 Q13133 1/20 0.32
▸ TP53 P04637 1/20 0.31

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
SCHEMBL11027013 0.92 SCN9A (0.35) SCN2BSCN1BSCN5ASCN9AMAPT
SCHEMBL11026324 0.91 CYP2C19 (0.38) SCN2BSCN1BSCN5ASCN9AMAPT
SCHEMBL11026405 0.90 SCN9A (0.35) SCN2BSCN1BSCN5ASCN9AMAPT
SCHEMBL11027159 0.90 MEN1 (0.37) SCN2BSCN1BSCN5ASCN9AMAPT
SCHEMBL11027406 0.88 TP53 (0.36) MAPTLMNASMN1; SMN2DRD4KDM4E
SCHEMBL11024597 0.87 MAPT (0.36) MAPTLMNASMN1; SMN2DRD4KDM4E
SCHEMBL12466252 0.86 SCN9A (0.34) SCN2BSCN1BSCN5ASCN9ASCN1A
SCHEMBL11940912 0.85 SCN9A (0.38) SCN2BSCN1BSCN5ASCN9AMAPT
SCHEMBL11940907 0.84 MEN1 (0.35) SCN2BSCN1BSCN5ASCN9AMAPT
SCHEMBL11940905 0.83 SCN9A (0.38) SCN2BSCN1BSCN5ASCN9AMAPT

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 11 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
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 SCN2B 741/4885SCN1B 211/4885SCN5A 971/4885

“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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