SCHEMBL11940902

SCHEMBL11940902

Cc1ccc(N2CCN(c3cncc(C4CC(C)(C)c5cc(C(=O)NS(=O)(=O)C6CC6)ccc5N4)c3)CC2)c(C)c1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ SCN9A Q15858 8/20 0.40
▸ SCN2B O60939 6/20 0.40
▸ SCN1B Q07699 6/20 0.40
▸ SCN1A P35498 3/20 0.40
▸ SCN5A Q14524 4/20 0.39
▸ MMP2 P08253 2/20 0.38
▸ MMP13 P45452 2/20 0.38
▸ HTR7 P34969 2/20 0.36
▸ CA2 P00918 1/20 0.36
▸ CA7 P43166 1/20 0.36
▸ CA9 Q16790 1/20 0.36
▸ IP6K1 Q92551 1/20 0.35
▸ MAPT P10636 1/20 0.33
▸ TP53 P04637 1/20 0.32
▸ GSK3B P49841 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
SCHEMBL11024311 0.92 MMP2 (0.38) SCN9ASCN2BSCN1BSCN1AMMP2
SCHEMBL11940904 0.87 SCN9A (0.40) SCN9ASCN2BSCN1BSCN1ASCN5A
SCHEMBL11025741 0.86 POLB (0.38) MMP2MMP13MAPTTP53
SCHEMBL11027123 0.86 MAPT (0.36) MMP2MMP13CA2CA7CA9
SCHEMBL11027058 0.83 MAPT (0.46) MAPTTP53
SCHEMBL11023804 0.81 MMP2 (0.39) SCN9ASCN2BSCN1BSCN1ASCN5A
SCHEMBL11027051 0.80 CHEK1 (0.40) IP6K1MAPTGSK3B
SCHEMBL11940885 0.78 SCN9A (0.48) SCN9ASCN2BSCN1BSCN1ASCN5A
SCHEMBL11940903 0.78 SCN9A (0.38) SCN9ASCN2BSCN1BSCN1ASCN5A
SCHEMBL11940901 0.78 SCN9A (0.39) SCN9ASCN2BSCN1BSCN1ASCN5A

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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