SCHEMBL11940892

SCHEMBL11940892

CC1(C)CC(c2cccc(C#N)c2)Nc2ccc(C(=O)NS(=O)(=O)C3CC3)cc21

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ F11 P03951 11/20 0.43
▸ F7 P08709 11/20 0.43
▸ F10 P00742 10/20 0.43
▸ IP6K1 Q92551 1/20 0.36
▸ BTK Q06187 1/20 0.36
▸ SCN9A Q15858 6/20 0.36
▸ SCN5A Q14524 4/20 0.36
▸ SCN2B O60939 1/20 0.35
▸ SCN1A P35498 1/20 0.35
▸ SCN1B Q07699 1/20 0.35
▸ CA1 P00915 1/20 0.34
▸ CA2 P00918 1/20 0.34
▸ CA7 P43166 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
SCHEMBL11026899 0.90 F11 (0.45) F11F7F10SCN9ACA1
SCHEMBL11024582 0.86 F7 (0.43) F11F7F10IP6K1SCN9A
SCHEMBL11940893 0.86 F11 (0.38) F11F7F10IP6K1SCN9A
SCHEMBL11940891 0.84 SCN9A (0.42) F11F7F10IP6K1SCN9A
SCHEMBL11026541 0.83 KDM1A (0.41) F11F7F10
SCHEMBL11028722 0.83 F11 (0.53) F11F7F10
SCHEMBL11940885 0.83 SCN9A (0.48) F11F7F10IP6K1SCN9A
SCHEMBL11940901 0.83 SCN9A (0.39) F11F7F10IP6K1SCN9A
SCHEMBL11024205 0.82 F11 (0.52) F11F7F10
SCHEMBL11940894 0.81 F11 (0.42) F11F7F10SCN9ASCN5A

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 F11 2989/4885F7 2297/4885F10 2432/4885

“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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