SCHEMBL11022437

SCHEMBL11022437

Cc1ccc(C2CC(C)(C)c3cc(Cl)cc(C(=O)NS(C)(=O)=O)c3N2)cc1N1CCCC1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SCN9A Q15858 5/20 0.35
▸ GPR55 Q9Y2T6 1/20 0.34
▸ MEN1 O00255 3/20 0.34
▸ KMT2A Q03164 3/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ MCOLN3 Q8TDD5 1/20 0.34
▸ SMN1; SMN2 Q16637 4/20 0.33
▸ GAA P10253 2/20 0.33
▸ NPSR1 Q6W5P4 2/20 0.33
▸ LMNA P02545 2/20 0.33
▸ MYC P01106 2/20 0.33
▸ POLB P06746 1/20 0.33
▸ TP53 P04637 2/20 0.33
▸ NR1H4 Q96RI1 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33

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
SCHEMBL11026178 0.90 HTR7 (0.34) SCN9ALMNAMYCMAPT
SCHEMBL11025566 0.86 MEN1 (0.37) GPR55MEN1KMT2AALDH1A1MCOLN3
SCHEMBL11025220 0.86 ADRB1 (0.34) SCN9AGPR55KMT2AALDH1A1GAA
SCHEMBL11026902 0.79 KDM1A (0.38) ALDH1A1GAANPSR1LMNANR1H4
SCHEMBL11940915 0.77 AURKA (0.36) SCN9AGPR55MEN1KMT2AALDH1A1
SCHEMBL11027013 0.76 SCN9A (0.35) SCN9ASMN1; SMN2TP53MAPT
SCHEMBL11029114 0.76 MAPT (0.36) MEN1KMT2AALDH1A1SMN1; SMN2GAA
SCHEMBL11029126 0.75 KDM1A (0.36) SCN9AMEN1KMT2AALDH1A1HPGD
SCHEMBL11026405 0.75 SCN9A (0.35) SCN9AMEN1KMT2AGAANPSR1
SCHEMBL11025564 0.72 CDC7 (0.35) MEN1KMT2AALDH1A1SMN1; SMN2GAA

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 10 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 claimed
EP-2668165-A1 NOVEL TETRAHYDROQUINOLINE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2013-12-04 — — EP claimed
WO-2012101068-A1 NOVEL TETRAHYDROQUINOLINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2012-08-02 — — WO claimed
US-20120190677-A1 NOVEL TETRAHYDROQUINOLINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2012-07-26 — — US claimed
US-8809369-B2 Tetrahydroquinoline derivatives HOFFMANN-LA ROCHE INC. (US) 2014-08-19 — — US disclosed
EP-2667883-A1 ORAL HEALTH IMPROVING COMPOSITIONS BASF SE (DE) 2013-12-04 — — EP disclosed
EP-2668165-A1 NOVEL TETRAHYDROQUINOLINE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2013-12-04 — — EP disclosed
WO-2012100991-A1 ORAL HEALTH IMPROVING COMPOSITIONS BASF SE (DE) 2012-08-02 — — WO 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

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 1420/4885GPR55 2215/4885MEN1 487/4885

“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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