SCHEMBL16099800

SCHEMBL16099800

O=C(O)C1CC2CCCC(C1)N2C(=O)c1cc2n(n1)CCN(C(=O)NCc1ccc(Cl)cc1)C2

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 1/20 0.41
▸ HRH3 Q9Y5N1 4/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ POLB P06746 1/20 0.39
▸ PKM P14618 1/20 0.38
▸ KIT P10721 2/20 0.38
▸ LMNA P02545 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ FNTA P49354 1/20 0.36
▸ FNTB P49356 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36

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
SCHEMBL16102807 0.96 KMT2A (0.39) EPHX2HRH3KMT2ATDP1POLB
SCHEMBL16100664 0.92 EPHX2 (0.38) EPHX2HRH3KMT2AMAPK1FNTA
SCHEMBL16100455 0.92 F2 (0.41) HRH3POLBPKMMAPK1
SCHEMBL16099331 0.90 HRH3 (0.39) HRH3KMT2AMAPK1NPSR1
SCHEMBL16100285 0.89 F2 (0.40) EPHX2HRH3POLBPKMMAPK1
SCHEMBL16102856 0.89 GRM5 (0.38) EPHX2HRH3KMT2AMAPK1
SCHEMBL16099089 0.88 GRIN2B (0.37) EPHX2HRH3KMT2APOLBMAPK1
SCHEMBL16101306 0.87 HRH3 (0.36) EPHX2HRH3KMT2AMAPK1NPSR1
SCHEMBL16100456 0.85 HRH3 (0.39) EPHX2HRH3NPSR1
SCHEMBL16099997 0.85 SMN1; SMN2 (0.39) HRH3

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 EPHX2 2018/4885HRH3 835/4885KMT2A 2542/4885

“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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