SCHEMBL16099477

SCHEMBL16099477

O=C(O)C1CC2CCC(C1)N2C(=O)c1cc2n(n1)CCN(C(=O)CCc1cc(Cl)cc(Cl)c1)C2

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.35
▸ GRM5 P41594 7/20 0.35
▸ ENPP2 Q13822 7/20 0.35
▸ ATXN2 Q99700 4/20 0.34
▸ F2 P00734 1/20 0.33
▸ MEN1 O00255 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ HDAC6 Q9UBN7 2/20 0.31
▸ KCNH2 Q12809 1/20 0.31
▸ C3AR1 Q16581 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
SCHEMBL16102001 0.96 POLB (0.34) POLBGRM5ENPP2ATXN2F2
SCHEMBL16102126 0.92 POLB (0.34) POLBGRM5ENPP2ATXN2F2
SCHEMBL16100220 0.88 GRM5 (0.39) GRM5ENPP2ATXN2F2HDAC6
SCHEMBL16100534 0.82 ENPP2 (0.41) ENPP2ATXN2KCNH2
SCHEMBL16100664 0.82 EPHX2 (0.38) GRM5ENPP2ATXN2F2MEN1
SCHEMBL16100162 0.81 GRM5 (0.40) GRM5ENPP2ATXN2F2MEN1
SCHEMBL16100542 0.80 ENPP2 (0.41) ENPP2KCNH2
SCHEMBL16099626 0.78 FKBP1A (0.41) GRM5ENPP2ATXN2MEN1MAPT
SCHEMBL16099089 0.78 GRIN2B (0.37) POLBENPP2ATXN2MEN1KMT2A
SCHEMBL16100412 0.78 ENPP2 (0.40) ENPP2KCNH2

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 POLB 3666/4885GRM5 1744/4885ENPP2 1/4885

“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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