SCHEMBL16099089

SCHEMBL16099089

O=C(O)C1CC2CCCC(C1)N2C(=O)c1cc2n(n1)CCCN(C(=O)NCc1cc(Cl)cc(Cl)c1)C2

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ GRIN2B Q13224 1/20 0.37
▸ EPHX2 P34913 4/20 0.35
▸ CA12 O43570 1/20 0.35
▸ CA1 P00915 1/20 0.35
▸ CA2 P00918 1/20 0.35
▸ CA9 Q16790 1/20 0.35
▸ ENPP2 Q13822 1/20 0.35
▸ ATXN2 Q99700 1/20 0.35
▸ HRH3 Q9Y5N1 4/20 0.35
▸ KCNH2 Q12809 1/20 0.33
▸ NPSR1 Q6W5P4 2/20 0.32
▸ SCN9A Q15858 1/20 0.32
▸ KMT2A Q03164 2/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ POLB P06746 1/20 0.31

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
SCHEMBL16100664 0.96 EPHX2 (0.38) GRIN2BEPHX2CA12CA1CA2
SCHEMBL16102917 0.94 GRM5 (0.34) GRIN2BEPHX2CA12CA1CA2
SCHEMBL16102807 0.93 KMT2A (0.39) EPHX2HRH3NPSR1KMT2AMAPK1
SCHEMBL16100285 0.92 F2 (0.40) EPHX2HRH3MAPK1POLB
SCHEMBL16102856 0.90 GRM5 (0.38) GRIN2BEPHX2HRH3KCNH2KMT2A
SCHEMBL16100488 0.90 ALDH1A1 (0.35) HRH3NPSR1KMT2AMEN1MAPK1
SCHEMBL16093920 0.89 ALDH1A1 (0.36) GRIN2BEPHX2CA12CA1CA2
SCHEMBL16100455 0.89 F2 (0.41) HRH3MAPK1POLB
SCHEMBL16099800 0.88 EPHX2 (0.41) EPHX2HRH3NPSR1KMT2AMAPK1
SCHEMBL16102126 0.86 POLB (0.34) ENPP2ATXN2POLB

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2970302-A1 S1P AND/OR ATX MODULATING AGENTS Biogen MA Inc. (US) 2016-01-20 — — EP claimed
WO-2014152725-A1 S1P AND/OR ATX MODULATING AGENTS BIOGEN IDEC MA INC. (US) 2014-09-25 — — WO claimed
US-20160039825-A1 S1P AND/OR ATX MODULATING AGENTS BIOGEN MA INC. 2016-02-11 — — US disclosed
EP-2970302-A1 S1P AND/OR ATX MODULATING AGENTS Biogen MA Inc. (US) 2016-01-20 — — EP disclosed
WO-2014152725-A1 S1P AND/OR ATX MODULATING AGENTS BIOGEN IDEC MA INC. (US) 2014-09-25 — — WO disclosed
WO-2014152725-A1 S1P AND/OR ATX MODULATING AGENTS BIOGEN IDEC MA INC. (US) 2014-09-25 — — WO 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-20160039825-A1 S1P AND/OR ATX MODULATING AGENTS ENPP2, S1PR1, S1PR2 GRIN2B 2245/4885EPHX2 2018/4885CA12 4191/4885

“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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