SCHEMBL11023804

SCHEMBL11023804

Cc1ccc(N2CCN(c3cccc(C4CC(C)(C)c5cc(C(=O)NS(C)(=O)=O)ccc5N4)c3)CC2)c(C)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MMP2 P08253 2/20 0.39
▸ MMP13 P45452 2/20 0.39
▸ SCN2B O60939 5/20 0.38
▸ SCN1A P35498 5/20 0.38
▸ SCN1B Q07699 5/20 0.38
▸ SCN9A Q15858 5/20 0.38
▸ CA2 P00918 1/20 0.37
▸ CA7 P43166 1/20 0.37
▸ CA9 Q16790 1/20 0.37
▸ F11 P03951 4/20 0.36
▸ F7 P08709 4/20 0.36
▸ POLB P06746 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ HTR7 P34969 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ SCN5A Q14524 4/20 0.34
▸ F10 P00742 3/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ LMNA P02545 1/20 0.34
▸ KDM4E B2RXH2 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
SCHEMBL11024311 0.89 MMP2 (0.38) MMP2MMP13SCN2BSCN1ASCN1B
SCHEMBL11022770 0.88 POLB (0.41) F11F7POLBHTTMAPT
SCHEMBL11029232 0.84 MAPT (0.47) MAPTSMN1; SMN2LMNA
SCHEMBL2531848 0.83 SCN2B (0.38) MMP2MMP13SCN2BSCN1ASCN1B
SCHEMBL11940902 0.81 SCN9A (0.40) MMP2MMP13SCN2BSCN1ASCN1B
SCHEMBL11940903 0.79 SCN9A (0.38) SCN2BSCN1ASCN1BSCN9AF11
SCHEMBL11024235 0.79 CYP2C19 (0.39) MAPT
SCHEMBL11940901 0.79 SCN9A (0.39) SCN2BSCN1ASCN1BSCN9AF11
SCHEMBL11027843 0.78 F11 (0.42) SCN9AF11F7F10SMN1; SMN2
SCHEMBL11940880 0.78 CYP2C19 (0.40) SCN2BSCN1ASCN1BSCN9AF11

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 13 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
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
EP-2668165-A1 NOVEL TETRAHYDROQUINOLINE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2013-12-04 — — EP disclosed
WO-2012101068-A1 NOVEL TETRAHYDROQUINOLINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 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
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 MMP2 4736/4885MMP13 4811/4885SCN2B 741/4885

“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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