SCHEMBL11940888

SCHEMBL11940888

CC1(C)CC(c2cc(N3CCOCC3)ccc2Cl)Nc2ccc(C(=O)NS(=O)(=O)C3CC3)cc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SCN9A Q15858 7/20 0.39
▸ IP6K1 Q92551 1/20 0.38
▸ SCN5A Q14524 3/20 0.38
▸ EPHX2 P34913 1/20 0.38
▸ NR1H4 Q96RI1 1/20 0.38
▸ MEN1 O00255 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ GAA P10253 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ PRKAG1 P54619 1/20 0.36
▸ PRKAA1 Q13131 1/20 0.36
▸ PRKAB1 Q9Y478 1/20 0.36
▸ MAPT P10636 4/20 0.35
▸ HPGD P15428 1/20 0.35
▸ MMP2 P08253 1/20 0.35
▸ MMP13 P45452 1/20 0.35
▸ HDAC1 Q13547 1/20 0.35
▸ SCN2B O60939 1/20 0.35
▸ SCN1A P35498 1/20 0.35
▸ SCN1B Q07699 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
SCHEMBL11025840 0.92 EPHX2 (0.42) SCN9AIP6K1EPHX2NR1H4MEN1
SCHEMBL11940887 0.91 CNR1 (0.40) SCN9ASCN5AMEN1KMT2AGAA
SCHEMBL11940900 0.90 SCN9A (0.38) SCN9ASCN5AEPHX2NR1H4RAB9A
SCHEMBL11940889 0.88 IP6K1 (0.38) SCN9AIP6K1SCN5AHDAC1SCN2B
SCHEMBL11027325 0.86 PRKAG1 (0.43) EPHX2NR1H4MEN1KMT2AGAA
SCHEMBL11940880 0.85 CYP2C19 (0.40) SCN9ASCN5AMAPTHDAC1SCN2B
SCHEMBL11028243 0.85 PRKAG1 (0.39) EPHX2NR1H4MEN1KMT2AGAA
SCHEMBL11025665 0.83 MAPT (0.39) EPHX2NR1H4MEN1KMT2AGAA
SCHEMBL11940877 0.82 SCN9A (0.39) SCN9AIP6K1SCN5APRKAG1PRKAA1
SCHEMBL11940904 0.82 SCN9A (0.40) SCN9AIP6K1SCN5AMAPTSCN2B

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 1420/4885IP6K1 3889/4885SCN5A 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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