SCHEMBL11940907

SCHEMBL11940907

CC1(C)CC(c2cccc(N3CCN(c4ccccc4F)CC3)c2)Nc2c(C(=O)NS(=O)(=O)C3CC3)cc(F)cc21

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.35
▸ KMT2A Q03164 3/20 0.35
▸ USP2 O75604 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ SCN9A Q15858 4/20 0.35
▸ SCN2B O60939 1/20 0.35
▸ SCN1A P35498 1/20 0.35
▸ SCN1B Q07699 1/20 0.35
▸ SCN5A Q14524 1/20 0.35
▸ ALDH1A1 P00352 5/20 0.34
▸ SMN1; SMN2 Q16637 5/20 0.34
▸ MAPT P10636 4/20 0.34
▸ MMP2 P08253 2/20 0.33
▸ MMP13 P45452 2/20 0.33
▸ MMP9 P14780 1/20 0.33
▸ NPSR1 Q6W5P4 3/20 0.33
▸ LMNA P02545 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ CYP1A2 P05177 1/20 0.32

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
SCHEMBL11940905 0.93 SCN9A (0.38) SCN9ASCN2BSCN1ASCN1BSCN5A
SCHEMBL11027159 0.93 MEN1 (0.37) MEN1KMT2AUSP2GAASCN9A
SCHEMBL11940912 0.91 SCN9A (0.38) SCN9ASCN2BSCN1ASCN1BSCN5A
SCHEMBL11026405 0.87 SCN9A (0.35) MEN1KMT2AUSP2GAASCN9A
SCHEMBL11030011 0.86 MEN1 (0.40) MEN1KMT2AUSP2GAAALDH1A1
SCHEMBL11024631 0.85 KMT2A (0.41) MEN1KMT2AUSP2GAAALDH1A1
SCHEMBL11021415 0.85 MEN1 (0.39) MEN1KMT2AUSP2GAAALDH1A1
SCHEMBL11940914 0.84 NR1H2 (0.35) MEN1KMT2AUSP2SCN9ASCN2B
SCHEMBL11029154 0.84 SCN2B (0.35) MEN1KMT2ASCN9ASCN2BSCN1A
SCHEMBL11027013 0.84 SCN9A (0.35) SCN9ASCN2BSCN1ASCN1BSCN5A

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 MEN1 487/4885KMT2A 513/4885USP2 4302/4885

“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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