SCHEMBL11940885

SCHEMBL11940885

CC1(C)CC(c2cccnc2)Nc2ccc(C(=O)NS(=O)(=O)C3CC3)cc21

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ SCN9A Q15858 12/20 0.48
▸ SCN2B O60939 6/20 0.48
▸ SCN1B Q07699 6/20 0.48
▸ IP6K1 Q92551 1/20 0.42
▸ SCN1A P35498 3/20 0.38
▸ SCN5A Q14524 6/20 0.37
▸ SIRT2 Q8IXJ6 1/20 0.37
▸ HDAC8 Q9BY41 2/20 0.35
▸ CTPS1 P17812 1/20 0.35
▸ F10 P00742 1/20 0.35
▸ F11 P03951 1/20 0.35
▸ F7 P08709 1/20 0.35
▸ HDAC1 Q13547 3/20 0.35
▸ HDAC6 Q9UBN7 3/20 0.35
▸ HDAC3 O15379 1/20 0.35
▸ HDAC11 Q96DB2 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
SCHEMBL11024812 0.90 IP6K1 (0.41) SCN9ASCN2BSCN1BIP6K1SCN5A
SCHEMBL11940893 0.84 F11 (0.38) SCN9ASCN2BSCN1BIP6K1SCN1A
SCHEMBL11024582 0.84 F7 (0.43) SCN9AIP6K1SCN5AF10F11
SCHEMBL11940892 0.83 F11 (0.43) SCN9ASCN2BSCN1BIP6K1SCN1A
SCHEMBL11940891 0.83 SCN9A (0.42) SCN9ASCN2BSCN1BIP6K1SCN1A
SCHEMBL11940904 0.82 SCN9A (0.40) SCN9ASCN2BSCN1BIP6K1SCN1A
SCHEMBL11940913 0.82 SCN9A (0.37) SCN9ASCN2BSCN1BIP6K1SCN1A
SCHEMBL11026541 0.82 KDM1A (0.41) HDAC8F10F11F7HDAC1
SCHEMBL11027136 0.82 F11 (0.44) F10F11F7
SCHEMBL11940901 0.81 SCN9A (0.39) SCN9ASCN2BSCN1BIP6K1SCN1A

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 1420/4885SCN2B 741/4885SCN1B 211/4885

“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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